Monomers
Vinyl acetate
Identifiers
IUPAC name
ethenyl acetate
InchI
InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
InchI Key
XTXRWKRVRITETP-UHFFFAOYSA-N
SMILES
CC(=O)OC=C
Canonical SMILES
CC(=O)OC=C
Isomeric SMILES
CC(=O)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.693
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
2.2395 0.1792 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9425 -0.3768 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8836 -1.4848 -0.4038 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2361 0.2961 0.4080 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4614 -0.2141 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6042 0.4144 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9740 -0.0020 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2195 1.2773 0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6381 -0.3312 1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4900 -1.1791 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5590 0.0491 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5467 1.3720 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 3
1 7 1 0
1 8 1 0
1 9 1 0
5 10 1 0
6 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers