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
3.8845 -0.4456 -0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1225 -0.5604 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7649 -0.7995 0.4150 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9377 0.3188 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4413 1.4699 0.3847 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5028 0.2059 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2462 1.3578 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6285 1.3033 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2286 0.0553 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5162 -1.1233 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1445 -1.0145 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4996 -0.5296 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9409 -0.2595 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5640 -0.4669 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 2.3579 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2396 2.1972 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3166 -0.0299 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9800 -2.0965 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5516 -1.9405 0.1572 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