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
4.0398 -0.2263 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1928 0.3738 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8460 0.5472 0.1817 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8650 -0.3488 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2053 -1.3958 1.1353 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5490 -0.1450 0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0065 0.9918 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3286 1.2165 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2525 0.2924 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8374 -0.8473 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5128 -1.0587 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0749 -0.3599 -0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6252 -0.6023 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5859 0.7529 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2589 1.7185 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5744 2.1335 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3041 0.4885 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6023 -1.5565 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2084 -1.9744 1.1510 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