Monomers
Vinyl benzoate
Identifiers
IUPAC name
ethenyl benzoate
InchI
InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
KOZCZZVUFDCZGG-UHFFFAOYSA-N
SMILES
C=COC(=O)c1ccccc1
Canonical SMILES
C=COC(=O)C1=CC=CC=C1
Isomeric SMILES
C=COC(=O)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.9869
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
3.9340 -0.0016 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0836 -0.9185 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7386 -0.8147 0.1708 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9224 0.2808 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 1.3668 0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5258 0.2023 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1093 -0.9785 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4461 -1.0572 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2265 0.0643 -0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6865 1.2809 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3305 1.3148 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9725 -0.2575 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6353 1.0024 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 -1.9544 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5027 -1.8574 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8835 -2.0032 -0.9074 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2826 -0.0510 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3306 2.1300 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8910 2.2516 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers