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
3.9802 0.1324 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 0.7675 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7374 0.8016 -0.0133 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8772 -0.1692 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3828 -1.0639 -1.2256 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5582 -0.1596 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4032 -1.1312 -0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7513 -1.1186 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2328 -0.1092 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3987 0.8536 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0300 0.8572 0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0202 0.1397 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7450 -0.4110 1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3952 1.2950 -1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0200 -1.9249 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3673 -1.9097 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2901 -0.1139 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8038 1.6383 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3718 1.6259 1.0123 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