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
4.4294 0.7416 -0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6850 -0.2425 -1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6772 -0.7152 -0.4408 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 -0.1876 -0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1911 0.7384 -1.2671 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3631 -0.6708 0.3881 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9620 -0.1893 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8162 -0.7190 1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1108 -0.3405 1.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6176 0.5986 0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8141 1.1465 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4759 0.7550 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2218 1.1371 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2798 1.1752 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8692 -0.6502 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6443 -1.4755 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4448 -1.4838 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7271 -0.7878 2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6467 0.8960 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2177 1.8982 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9154 1.2283 -1.1963 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