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
3.8844 0.0033 -0.9281 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8750 0.7803 -1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7165 0.8000 -0.5131 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 -0.0775 -0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8137 -0.8860 -1.7820 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5649 -0.1002 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5753 -0.9706 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7512 -0.9945 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9747 -0.1461 1.4127 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9462 0.7298 1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7676 0.7562 1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7865 -0.6180 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8080 -0.0316 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9320 1.4171 -2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3951 -1.6445 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5374 -1.7008 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8977 -0.1570 1.9826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1271 1.3971 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 1.4429 1.2532 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