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
3.9496 0.6697 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2266 -0.2914 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9058 -0.4742 -0.1392 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8485 0.1634 0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1182 0.9335 1.4465 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5359 -0.0205 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5299 0.6437 0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8625 0.5034 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2382 -0.3262 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2425 -1.0054 -1.2807 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9073 -0.8484 -0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5288 1.3249 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9805 0.8356 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6441 -0.9483 0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2717 1.2997 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6428 1.0251 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2901 -0.4492 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5275 -1.6582 -2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1535 -1.3772 -1.4695 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