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
3.8656 0.1068 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0822 -0.9001 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7395 -0.8819 -0.1633 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9493 0.2156 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4204 1.3440 -0.4808 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5066 0.1573 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 -1.0332 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4883 -1.0957 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2720 0.0368 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6497 1.2289 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2759 1.2947 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 -0.1253 -0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 1.1298 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5333 -1.9252 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4885 -1.9113 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9414 -2.0422 0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3379 0.0250 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2435 2.1289 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7992 2.2471 -0.2346 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