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
3.9700 -0.1837 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1240 0.8047 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7729 0.7818 0.1578 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9482 -0.2954 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4380 -1.4342 0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5219 -0.1614 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1323 1.0683 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5219 1.1822 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3163 0.0568 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7043 -1.1717 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3339 -1.2672 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6598 -1.2066 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0604 -0.0367 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5822 1.8129 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5319 1.9675 0.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9730 2.1834 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3889 0.1874 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3113 -2.0510 -0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8200 -2.2371 -0.1361 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