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
2.3933 0.7746 3.4961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2999 0.1855 2.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 0.3373 1.6413 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9968 -0.2824 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 -0.9224 -0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1954 -0.2206 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2402 -0.8435 -1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3541 -0.8019 -2.4409 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4766 -0.1161 -2.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4599 0.5159 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3345 0.4632 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3170 0.6978 4.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 1.3304 3.9388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1448 -0.3728 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 -1.3879 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3951 -1.2901 -3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3599 -0.0748 -2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3155 1.0545 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3030 0.9533 0.9502 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