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
3.9216 0.1867 0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1322 -0.6408 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -0.6802 -0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9296 0.2227 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4347 1.1610 1.0392 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5378 0.1094 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3054 1.0536 0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6719 0.9589 0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2860 -0.0419 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5019 -0.9941 -0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1151 -0.8998 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6519 1.0417 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0059 0.0239 0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6056 -1.5006 -0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8617 1.8599 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3036 1.6992 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3673 -0.1113 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9790 -1.7798 -1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5242 -1.6683 -0.9784 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