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
3.6210 0.0666 1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1679 -0.2311 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9211 0.2452 -0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8143 -0.5573 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9872 -1.6320 0.8193 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5292 -0.1824 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5828 -1.0202 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 -0.6403 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0653 0.5618 -1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9645 1.3691 -1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7007 1.0043 -0.8719 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5765 -0.3177 1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0725 0.6828 2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7743 -0.8570 -0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 -1.9614 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6840 -1.2906 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0710 0.8189 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1255 2.2880 -1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1295 1.6532 -1.0929 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