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
3.8696 -0.1902 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1546 0.5518 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8039 0.7005 0.1768 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9501 -0.2163 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4046 -1.1361 -1.1373 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5056 -0.0924 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3743 -0.9764 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7388 -0.9229 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2390 0.0889 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3819 1.0108 0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0206 0.9118 0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9443 -0.2965 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4829 -0.7128 1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5898 1.0511 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9763 -1.7657 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4353 -1.6178 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2990 0.1795 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8399 1.7923 1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3890 1.6404 1.0604 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