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
3.8465 0.9213 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1916 -0.1535 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 -0.1149 -0.3907 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8773 -0.2562 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1546 -0.4229 1.7525 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5256 -0.2169 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8505 -0.0338 -1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1860 0.0000 -1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1833 -0.1447 -0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8757 -0.3275 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5382 -0.3582 1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3195 1.8873 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8867 0.8684 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6933 -1.1190 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0701 0.0809 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4318 0.1418 -2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2292 -0.1183 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6631 -0.4414 1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2891 -0.5019 2.1143 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