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
3.8779 -0.0645 0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0681 -0.9025 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6942 -0.7821 0.4625 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9842 -0.0282 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5991 0.5435 -1.3857 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4811 0.0811 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1654 -0.5442 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5371 -0.4453 0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2727 0.3001 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5850 0.9280 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.8242 -1.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4762 0.7643 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9521 -0.1220 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4562 -1.7201 -0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5810 -1.1243 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0777 -0.9373 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3477 0.3859 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1416 1.5117 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7112 1.3314 -2.0456 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