Mrv0541 02241223092D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <DATABASE_ID>
YMDB01335

> <DATABASE_NAME>
YMDB

> <SMILES>
CCOC=C

> <INCHI_IDENTIFIER>
InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3

> <INCHI_KEY>
FJKIXWOMBXYWOQ-UHFFFAOYSA-N

> <FORMULA>
C4H8O

> <MOLECULAR_WEIGHT>
72.1057

> <EXACT_MASS>
72.057514878

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
8.431364793277229

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethoxyethene

> <ALOGPS_LOGP>
1.19

> <JCHEM_LOGP>
0.9860317896666666

> <ALOGPS_LOGS>
-0.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.709192377269983

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
21.4533

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl vinyl ether

> <JCHEM_VEBER_RULE>
1

> <YMDB_ID>
YMDB01335

> <GENERIC_NAME>
Ethoxy ethene

> <SYNONYMS>
1-Ethoxyethene; 1-Ethoxyethylene; Ethene, ethoxy; Ether, ethyl vinyl; Ether, vinyl ethyl; Ethoxyethene; Ethoxyethylene; Ethyl ethenyl ether; Ethyl vinyl ether; Ethylene; Ethyloxyethene; EVE; Vinamar; Vinyl Ethyl ether; Vinyl ethyl ether, inhibited

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