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
4.1519 0.1950 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1124 -0.6193 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8575 -0.0303 0.0347 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7414 -0.8392 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9357 -2.0712 -0.1602 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6250 -0.2775 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7312 -1.0811 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9815 -0.5340 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1993 0.8238 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0857 1.6414 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8244 1.0797 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1467 -0.2216 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0826 1.2669 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2419 -1.6720 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5830 -2.1468 -0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8434 -1.1668 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2125 1.2079 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2350 2.7166 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0508 1.7285 0.2070 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