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
4.5399 -0.5378 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8399 0.5770 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6533 0.6669 -0.7578 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4088 0.3734 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4782 0.0367 1.0479 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2032 0.4659 -0.8831 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0679 0.1897 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2118 0.5646 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4813 0.3094 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6146 -0.3535 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5262 -0.7483 1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2632 -0.4639 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2733 -1.4490 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4588 -0.5460 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1657 1.4693 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2602 0.7707 -1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0762 1.0843 -2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3670 0.5989 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6065 -0.5676 0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6082 -1.2666 2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4583 -0.8192 1.4435 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