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
5.0011 -0.1438 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7885 -0.6568 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7265 0.2307 0.2118 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4001 -0.1923 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1956 -1.4014 0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3163 0.6963 0.0476 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0558 0.3950 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6059 -0.8626 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9705 -1.1047 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8429 -0.0768 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3440 1.2104 -0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9963 1.4265 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1765 0.9230 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8682 -0.7843 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6878 -1.7269 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 1.7201 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9840 -1.7193 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3489 -2.1260 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9198 -0.2648 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0586 2.0193 -0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6289 2.4383 -0.1070 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