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
3.9286 -0.2479 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1113 0.7726 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7785 0.6141 -0.5981 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8963 0.2390 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3457 0.0643 1.5522 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5316 0.0464 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3759 -0.3271 1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7271 -0.5141 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2286 -0.3238 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3816 0.0513 -1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0230 0.2411 -1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5787 -1.2131 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9643 -0.1357 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4524 1.7556 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0238 -0.4897 2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3752 -0.8097 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2695 -0.4563 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 0.1986 -2.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3393 0.5344 -1.9321 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