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
4.4999 -0.0449 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7842 0.7055 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6463 0.2058 -0.7484 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 0.3064 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2994 0.8664 0.9520 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3101 -0.2447 -0.8806 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0189 -0.2311 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3230 -0.0817 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6518 -0.0446 1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6440 -0.1612 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3404 -0.3148 -0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0412 -0.3518 -1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1906 -1.0554 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3819 0.3579 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0411 1.7321 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4772 -0.7075 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5386 -0.0055 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8283 0.0752 2.3768 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6702 -0.1341 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1737 -0.4027 -1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 -0.4693 -2.4190 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