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
4.1644 0.0849 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1187 -0.7274 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8546 -0.1451 -0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6879 -0.8875 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8083 -2.1334 -0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6392 -0.2641 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7924 -1.0191 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0517 -0.4610 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1270 0.9112 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0025 1.7099 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7814 1.0948 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1739 -0.2953 -0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0722 1.1584 -0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2807 -1.7778 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7222 -2.0941 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9589 -1.0826 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1024 1.4108 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0781 2.8009 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0950 1.7163 0.1657 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