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
3.9055 0.5324 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1891 0.3202 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8071 0.4680 0.3525 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9289 -0.5373 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3442 -1.6837 -0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4940 -0.2933 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3877 -1.2837 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7598 -1.0881 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2623 0.1593 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3767 1.1665 0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0176 0.9489 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9849 0.3986 -0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4113 0.8300 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6317 0.0184 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0312 -2.2697 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4509 -1.8856 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3394 0.3042 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7624 2.1351 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3207 1.7597 0.6344 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