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
-3.8503 0.5135 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0971 0.1374 0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7418 -0.0057 0.7849 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9526 0.2024 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4020 0.5701 -1.3868 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4959 -0.0119 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0590 -0.4211 1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4209 -0.6119 1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2783 -0.4163 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7035 -0.0070 -1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3419 0.1888 -1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5542 0.7580 -1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9371 0.5978 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6034 -0.0736 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4191 -0.5907 1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8836 -0.9331 2.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3528 -0.5790 0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2951 0.1686 -2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8883 0.5137 -2.1946 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