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
3.8973 -0.3725 1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2263 0.4147 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8626 0.5432 0.4102 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9119 -0.2388 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3137 -1.1501 -0.9651 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5241 -0.0683 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 0.9142 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3850 1.0857 1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2691 0.2513 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8046 -0.7369 -0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4268 -0.8826 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9693 -0.4912 0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 -0.9176 1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7440 0.9492 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2917 1.5482 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7338 1.8653 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3397 0.3393 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4799 -1.4013 -0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0384 -1.6519 -1.2754 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