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
4.4475 -0.4318 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -0.8584 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7596 -0.0732 0.9432 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4496 -0.2831 0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3010 -1.1545 -0.4571 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3744 0.4741 0.8918 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9600 0.3482 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4517 -0.5921 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8006 -0.6183 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7099 0.2981 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2247 1.2495 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9050 1.2801 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2589 -1.0484 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1946 0.5231 -1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0460 -1.8247 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6257 1.1908 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8080 -1.3457 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1673 -1.3768 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7375 0.2345 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9386 1.9733 0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5380 2.0354 1.6080 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