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
3.8714 -0.6162 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9312 -1.0718 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6089 -0.9822 -0.0331 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8846 0.1421 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4721 1.0307 -1.0257 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5069 0.2194 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2324 1.3271 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5593 1.4700 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1421 0.4278 0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4085 -0.6914 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0949 -0.7938 0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5764 -0.1756 1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9315 -0.6586 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1385 -1.5311 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8023 2.1638 -0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1167 2.3580 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1888 0.5347 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8709 -1.4910 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4917 -1.6623 1.0018 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