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
4.0993 0.6440 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1805 -0.3023 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8508 0.0759 -0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7991 -0.7953 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 -2.0306 0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5967 -0.3251 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8614 1.0243 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1884 1.4133 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2279 0.5132 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9568 -0.8351 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6347 -1.2289 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8197 1.6841 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1604 0.3661 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4671 -1.3421 0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0598 1.7348 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3982 2.4597 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2660 0.8069 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7654 -1.5566 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4380 -2.3063 -0.0641 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