Mrv1652305261923592D          

 11 11  0  0  0  0            999 V2000
    8.5663  -12.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875  -11.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5663  -12.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8556  -11.6747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9969  -12.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2775  -13.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8510  -13.3191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433  -12.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9988  -12.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7123  -11.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110  -10.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB008710

> <DATABASE_NAME>
foodb

> <SMILES>
COC1=CC(CO)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3

> <INCHI_KEY>
ZENOXNGFMSCLLL-UHFFFAOYSA-N

> <FORMULA>
C8H10O3

> <MOLECULAR_WEIGHT>
154.1632

> <EXACT_MASS>
154.062994186

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
15.736631071013067

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(hydroxymethyl)-2-methoxyphenol

> <ALOGPS_LOGP>
0.50

> <JCHEM_LOGP>
0.7446594613333333

> <ALOGPS_LOGS>
-0.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.132846547417035

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.915136507660787

> <JCHEM_PKA_STRONGEST_BASIC>
-2.817579686041257

> <JCHEM_POLAR_SURFACE_AREA>
49.69

> <JCHEM_REFRACTIVITY>
41.318

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.94e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
vanillyl alcohol

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB008710

> <GENERIC_NAME>
4-Hydroxy-3-methoxybenzenemethanol

$$$$