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
3.9199 0.4903 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1863 0.2800 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8121 0.4991 0.5429 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9065 -0.4911 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3931 -1.6158 -0.0919 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.2741 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0779 0.9525 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4135 1.2069 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2642 0.1689 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7437 -1.0745 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3636 -1.2944 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9874 0.3267 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 0.8303 -1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6450 -0.0607 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3655 1.7366 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8290 2.1701 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3235 0.3335 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3940 -1.8945 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0192 -2.2899 -0.4735 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