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
3.8652 -0.7867 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0410 -0.5018 -0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6857 -0.6741 -0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9596 0.3745 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5367 1.4599 -0.0306 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4899 0.2851 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1832 -0.8800 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5441 -0.9547 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2509 0.1378 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5497 1.2986 0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1885 1.3541 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5341 -1.1450 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9249 -0.6586 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3709 -0.1442 -1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6175 -1.7221 -0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0507 -1.8830 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3094 0.0380 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1051 2.1387 1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6292 2.2634 0.6740 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