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
-3.9550 0.6448 -0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1590 0.2312 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7784 0.3727 0.5543 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9127 -0.5437 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3871 -1.5821 -0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5189 -0.2986 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0096 0.8553 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3604 1.0468 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2708 0.1400 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7887 -1.0150 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4298 -1.2092 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0146 0.4970 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5687 1.1437 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5790 -0.2730 1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3209 1.5749 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8038 1.9385 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3302 0.3166 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4925 -1.7344 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0289 -2.1053 -0.9082 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