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
4.2975 1.3431 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8581 0.5429 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8136 -0.3632 -0.1272 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4927 0.0455 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3058 1.2069 0.5041 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4180 -0.8385 -0.1065 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9558 -0.5658 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8506 -1.6340 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1964 -1.4767 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7051 -0.2300 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8323 0.8392 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4521 0.6802 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1028 2.0133 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8711 1.3292 -1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2729 0.5381 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7033 -1.8072 -0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4527 -2.6342 -0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8934 -2.2956 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7584 -0.0670 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1966 1.8320 0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8423 1.5417 0.4911 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