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
3.8398 0.6636 0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1353 0.4587 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8067 0.2731 -0.4879 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8513 0.2586 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1693 0.4282 1.6621 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5334 0.0413 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8881 -0.1471 -1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2205 -0.3457 -1.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1905 -0.3594 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8353 -0.1709 0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 0.0305 1.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3821 0.7120 1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9124 0.7919 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7267 0.4292 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1233 -0.1379 -2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5153 -0.4967 -2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2295 -0.5141 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5593 -0.1747 1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2392 0.1757 2.1027 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