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
3.9823 0.4716 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1366 -0.5063 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7702 -0.3085 0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9058 -0.3776 -0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3529 -0.6388 -1.5885 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5203 -0.1535 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4116 -0.2184 -1.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7767 -0.0002 -1.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2784 0.2848 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3994 0.3528 1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0484 0.1362 0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0362 0.2471 0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6836 1.5010 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4976 -1.5078 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0122 -0.4454 -2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4702 -0.0548 -1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3537 0.4579 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7667 0.5756 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3276 0.1845 1.8033 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