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
4.0049 0.8609 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1470 -0.1382 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7919 0.1402 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8158 -0.8281 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1566 -2.0331 0.2196 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5771 -0.3979 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5772 -1.3698 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8933 -0.9644 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2407 0.3753 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2149 1.3023 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8875 0.9430 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6798 1.9006 -0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0769 0.6997 -0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5211 -1.1376 0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2833 -2.4015 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6954 -1.7009 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2796 0.7056 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4462 2.3634 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0986 1.6805 0.0125 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