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
3.9502 -0.2820 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1492 0.3329 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8345 0.4913 -0.3454 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 -0.3974 -0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0840 -1.4412 -1.2298 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5591 -0.1411 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9055 1.0015 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1823 1.2806 0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1681 0.3500 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8838 -0.8074 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5787 -1.0321 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9858 -0.4265 -0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6245 -0.6605 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.6762 -1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1288 1.7134 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4364 2.1938 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1683 0.5729 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6866 -1.4984 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3249 -1.9261 -0.9767 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