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
4.0921 0.5099 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1793 -0.2545 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8491 0.0941 0.1235 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 -0.6389 0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1381 -1.6480 1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5934 -0.2732 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9140 0.8306 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2595 1.1654 -0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2815 0.4277 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9327 -0.6811 0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5945 -1.0323 1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1372 0.2779 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8547 1.3814 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5069 -1.1050 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1119 1.4124 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5171 2.0249 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3242 0.6881 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7217 -1.2782 1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3154 -1.9015 1.6205 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