Mrv1572004191601192D          

  9 10  0  0  0  0            999 V2000
    3.4276    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421    4.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8401    2.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2691    5.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276    2.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    5.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1421    3.9678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0151    2.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6816    5.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004376

> <DATABASE_NAME>
chemdb

> <SMILES>
C(OCC1CO1)C1CO1

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2

> <INCHI_KEY>
GYZLOYUZLJXAJU-UHFFFAOYSA-N

> <FORMULA>
C6H10O3

> <MOLECULAR_WEIGHT>
130.143

> <EXACT_MASS>
130.062994182

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
13.403999991922328

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.32

> <JCHEM_LOGP>
-0.1929173283333331

> <ALOGPS_LOGS>
0.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7062846137260563

> <JCHEM_POLAR_SURFACE_AREA>
34.29

> <JCHEM_REFRACTIVITY>
30.5019

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diglycidyl ether

> <JCHEM_VEBER_RULE>
1

> <NAME>
Diglycidyl ether

> <CAS>
2238-07-5

$$$$