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
3.9433 0.6293 -0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2001 -0.4150 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8508 -0.4744 -0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8944 0.4732 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2669 1.6461 -0.3859 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5439 0.1381 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9550 -1.1528 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2956 -1.4793 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2694 -0.5090 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 0.7857 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5144 1.0996 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0449 0.5659 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4952 1.5887 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7217 -1.3757 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2094 -1.8988 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6377 -2.4855 0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3147 -0.7828 0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6271 1.5369 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1921 2.1099 -0.4152 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