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
3.9601 -0.5066 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1995 0.5356 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8401 0.6182 0.1472 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8999 -0.3536 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2919 -1.5334 -0.0994 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5424 -0.1155 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 -1.1533 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8041 -0.9523 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2797 0.3435 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4112 1.4048 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0572 1.1660 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5550 -1.5066 -0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0592 -0.3725 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7158 1.5169 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1032 -2.1850 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4823 -1.7974 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3407 0.5209 0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7543 2.4141 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 1.9560 0.3471 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