Mrv1572004191601112D          

 16 18  0  0  0  0            999 V2000
    3.2704    1.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    3.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    1.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -0.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    2.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.1263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533    3.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004111

> <DATABASE_NAME>
chemdb

> <SMILES>
C(OC1=CC(OCC2CO2)=CC=C1)C1CO1

> <INCHI_IDENTIFIER>
InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2

> <INCHI_KEY>
WPYCRFCQABTEKC-UHFFFAOYSA-N

> <FORMULA>
C12H14O4

> <MOLECULAR_WEIGHT>
222.24

> <EXACT_MASS>
222.089208931

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
23.302592149601697

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-({3-[(oxiran-2-yl)methoxy]phenoxy}methyl)oxirane

> <ALOGPS_LOGP>
1.23

> <JCHEM_LOGP>
1.3404365213333338

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8103456216008076

> <JCHEM_POLAR_SURFACE_AREA>
43.52

> <JCHEM_REFRACTIVITY>
56.47380000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[3-(oxiran-2-ylmethoxy)phenoxymethyl]oxirane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Diglycidyl resorcinol ether

> <CAS>
101-90-6

> <SYNONYMS>
1,3-Bis(2,3-epoxypropoxy)benzene

$$$$