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
4.0134 0.8769 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0823 0.0926 -0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7919 0.2377 -0.2034 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7614 -0.5470 -0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0710 -1.4003 -1.5556 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5763 -0.3449 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6310 -1.0917 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9288 -0.8946 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1685 0.0651 0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1130 0.8232 1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8283 0.6137 0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0227 0.7966 -0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7908 1.6312 0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3676 -0.6338 -1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 -1.8411 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7634 -1.4842 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1493 0.2602 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2456 1.6027 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0340 1.2377 1.1588 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