Mrv1652303202019002D          

  3  3  0  0  0  0            999 V2000
   -0.3606    0.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3606   -0.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D4207

> <DATABASE_NAME>
t3db

> <SMILES>
C1CO1

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O/c1-2-3-1/h1-2H2

> <INCHI_KEY>
IAYPIBMASNFSPL-UHFFFAOYSA-N

> <FORMULA>
C2H4O

> <MOLECULAR_WEIGHT>
44.0526

> <EXACT_MASS>
44.02621475

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
4.419761141449756

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxirane

> <ALOGPS_LOGP>
-0.47

> <JCHEM_LOGP>
-0.04697550833333336

> <ALOGPS_LOGS>
0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.154792712283973

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
11.043500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.94e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethylene oxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4207

> <NAME>
Ethylene Oxide

> <CAS>
75-21-8

> <SYNONYMS>
1,2-Epoxyaethan; 1,2-Epoxyethane; Aethylenoxid; alpha,beta-Oxidoethane; Amprolene; Anprolene; Anproline; D.E.R. 732 Epoxy resin; D.E.R. 736 Epoxy resin; Dihydro-Oxirene; Dihydrooxirene; Dimethylene oxide; E.O.; Epoxyethane; Ethene oxide; Ethox; Ethyleenoxide; Ethylene oxide; Ethylene oxide, 8CI; ETO; Etylenu tlenek; FEMA 2433; Merpol; Oxacyclopropane; Oxide, ethylene; Oxidoethane; Oxiraan; Oxiran; Oxirane; Oxyfume; Oxyfume 12; Polypropylene glycol, (chloromethyl)oxirane polymer; Qazi-ketcham; Sterilizing gas ethylene oxide 100%; T-Gas

> <TYPES>
Organic Compound; Ether; Pollutant; Food Toxin; Flavouring Agent; Metabolite; Cigarette Toxin; Household Toxin; Synthetic Compound; Food Additive

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