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
3.9831 0.4415 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1773 -0.5707 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8449 -0.3835 0.2944 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8221 -0.3286 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1106 -0.4567 -1.8428 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5599 -0.1275 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8699 0.0126 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 0.2053 1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2212 0.2649 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9129 0.1250 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6043 -0.0675 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5930 1.4439 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0284 0.3277 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5580 -1.5742 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 -0.0338 1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3796 0.3112 2.6134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2516 0.4169 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7292 0.1707 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3717 -0.1772 -2.1646 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