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
4.1384 0.4963 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1319 -0.3587 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8360 0.0927 -0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7985 -0.8108 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0143 -2.0327 0.2255 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5794 -0.3176 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6403 -1.1864 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9442 -0.7381 0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2524 0.6039 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1887 1.4693 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8845 1.0235 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1585 0.1466 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9517 1.5500 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3311 -1.4162 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3948 -2.2509 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7497 -1.4684 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2759 0.9426 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3910 2.5309 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0595 1.7240 -0.0109 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