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
4.0785 -0.6596 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1910 0.2343 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8535 -0.1093 -0.1362 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8168 0.7255 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1211 1.8669 0.6589 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5711 0.3166 0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5466 1.1985 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8996 0.8318 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2778 -0.4150 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2840 -1.2891 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9321 -0.9317 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7402 -1.6197 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1542 -0.4593 -0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5648 1.1878 0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2620 2.1730 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6827 1.4989 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3390 -0.6714 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5543 -2.2687 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 -1.6095 -0.6084 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