Monomers
Vinyl carbanilate
Identifiers
IUPAC name
ethenyl N-phenylcarbamate
InchI
InChI=1S/C9H9NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
InchI Key
JQNHVGUIRIXTOS-UHFFFAOYSA-N
SMILES
C=COC(=O)Nc1ccccc1
Canonical SMILES
C=COC(=O)NC1=CC=CC=C1
Isomeric SMILES
C=COC(=O)NC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H9NO2
Heavy Atom Count
12
Molecular Weight
163.176
Exact Molecular Weight
163.0633
Valence Electrons
62
Radical Electrons
0
tPSA
38.33
MolLogP
2.3786
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
5.0149 -0.1326 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8146 0.3744 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6923 -0.4345 0.1958 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4090 0.0839 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3103 1.3015 -0.1756 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2539 -0.7179 0.0558 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0845 -0.3096 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5219 0.9664 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8693 1.2918 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8265 0.3018 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4005 -0.9858 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0892 -1.2797 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 -1.1940 0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8980 0.4887 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7222 1.4342 -0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 -1.7428 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8407 1.7679 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1573 2.3184 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8860 0.5426 -0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1687 -1.7452 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8336 -2.3294 0.1470 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 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 7 1 0
1 13 1 0
1 14 1 0
2 15 1 0
6 16 1 0
8 17 1 0
9 18 1 0
10 19 1 0
11 20 1 0
12 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers