Mrv0541 02241217112D          

 10 10  0  0  0  0            999 V2000
    0.7022   -1.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4461   -1.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022    1.0324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461    1.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417   -1.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022   -1.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461   -1.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM005383

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1=CC(OC)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3

> <INCHI_KEY>
DPZNOMCNRMUKPS-UHFFFAOYSA-N

> <FORMULA>
C8H10O2

> <MOLECULAR_WEIGHT>
138.1638

> <EXACT_MASS>
138.068079564

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
14.70467633736014

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-dimethoxybenzene

> <ALOGPS_LOGP>
2.00

> <JCHEM_LOGP>
1.657903284666667

> <ALOGPS_LOGS>
-2.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.5349504225246555

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
38.98440000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
M-dimethoxybenzene

> <JCHEM_VEBER_RULE>
1

> <NAME>
M-DIMETHOXYBENZENE

> <CAS>
151-10-0

> <SYNONYMS>
1,3-dimethoxybenzene; 1,3-Dimethoxybenzene

$$$$