403
  -OEChem-02070814222D

 15 15  0     0  0  0  0  0  0999 V2000
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
403

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
66.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAACAyBkAAwxoBAAgCAACRCQACCAAAgIgAIiAAGbIgIJiKCkZOAcABk0BEI2AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-aminophenol

> <PUBCHEM_IUPAC_CAS_NAME>
4-aminophenol

> <PUBCHEM_IUPAC_NAME>
4-aminophenol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-aminophenol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-aminophenol

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

> <PUBCHEM_CACTVS_XLOGP>
0.4

> <PUBCHEM_EXACT_MASS>
109.052764

> <PUBCHEM_MOLECULAR_FORMULA>
C6H7NO

> <PUBCHEM_MOLECULAR_WEIGHT>
109.12588

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1N)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1N)O

> <PUBCHEM_CACTVS_TPSA>
46.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
109.052764

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_SUBSTANCE_ID>
173289

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000123308

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Amino-4-hydroxybenzene
123-30-8
4-AMINOPHENOL
4-Amino-1-hydroxybenzene
4-Hydroxyaniline
51-78-5
52985-09-8
63084-98-0
AI3-14872
Activol
Aminophenol, p-
Azol
BASF Ursol P Base
Benzofur P
C.I. 76550
C.I. Oxidation Base 6
CCRIS 4146
CI 76550
Certinal
Citol
Durafur Brown RB
EINECS 204-616-2
Fouramine P
Fourrine 84
Fourrine P Base
Furro P Base
HSDB 2640
NSC 1545
Nako Brown R
PAP
Paranol
Pelagol Grey P Base
Pelagol P Base
Phenol, 4-amino-
Phenol, p-amino-
Renal AC
Rodinal
Tertral P base
UN2512
Unal
Ursol P
Ursol P base
Zoba Brown P Base
p-Aminofenol [Czech]
p-Aminophenol
p-Aminophenol [UN2512]  [Poison]
p-Hydroxyaniline
p-Hydroxyphenylamine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
123-30-8
51-78-5
52985-09-8
63084-98-0

> <PUBCHEM_XREF_EXT_ID>
000123308

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000123308

> <PUBCHEM_CID_ASSOCIATIONS>
403  1

> <PUBCHEM_BONDANNOTATIONS>
3  4  8
3  5  8
4  7  8
5  8  8
6  7  8
6  8  8

$$$$