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
-3.9640 0.5211 0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1680 0.3615 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7927 0.5585 -0.4303 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9284 -0.4557 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3812 -1.6037 0.1283 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5217 -0.2709 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3415 -1.3283 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 -1.1287 0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2729 0.1026 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4558 1.1754 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1047 0.9547 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0135 0.3607 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5398 0.8114 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5568 0.0696 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8954 -2.3073 0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 -1.9622 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3385 0.2326 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9191 2.1318 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4601 1.7768 -0.4899 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