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2D Structure
Also known as: Ethylene-vinyl acetate, Schembl33705, Akos015915246, Q144917
Molecular Formula
C6H10O2
Molecular Weight
114.14  g/mol
InChI Key
DQXBYHZEEUGOBF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
but-3-enoic acid;ethene
2.1.2 InChI
InChI=1S/C4H6O2.C2H4/c1-2-3-4(5)6;1-2/h2H,1,3H2,(H,5,6);1-2H2
2.1.3 InChI Key
DQXBYHZEEUGOBF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=C.C=CCC(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Ethylene-vinyl Acetate

2. Schembl33705

3. Akos015915246

4. Q144917

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 114.14 g/mol
Molecular Formula C6H10O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass114.068079557 g/mol
Monoisotopic Mass114.068079557 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity65.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2