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
3.9264 0.4433 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0065 0.6012 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6795 0.7834 0.5900 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8819 -0.3322 0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3880 -1.4576 0.6586 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5078 -0.2658 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3145 -1.3717 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6391 -1.2691 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1867 -0.0270 -0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4052 1.1003 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0728 0.9926 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6494 0.4558 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9596 0.3009 0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2311 0.5968 2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8529 -2.3394 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2241 -2.1617 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2189 0.1172 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8465 2.0749 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4539 1.8872 -0.0595 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