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
3.9110 0.6517 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2139 -0.4578 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8687 -0.5562 0.3572 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8884 -0.1768 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2553 0.2560 -1.6520 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5431 -0.2536 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 0.1389 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8039 0.0732 -0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2662 -0.3884 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3193 -0.7858 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9500 -0.7206 1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9495 0.7430 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4628 1.5165 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7329 -1.2675 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1469 0.5133 -2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5099 0.3916 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3234 -0.4261 0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6788 -1.1498 2.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2711 -1.0486 1.7891 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