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
4.0991 0.0426 0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1891 -0.2847 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8239 -0.0328 0.2355 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8649 -0.3714 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 -0.9133 -1.7786 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5740 -0.1200 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0067 0.4743 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3356 0.7370 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2845 0.3923 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8349 -0.2022 -1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5103 -0.4645 -1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1421 -0.1573 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8484 0.5106 1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4914 -0.7512 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2795 0.7456 1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6548 1.2118 1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3410 0.5770 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6077 -0.4699 -1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2331 -0.9241 -2.3472 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