Monomers
1-Cyanovinyl acetate
Identifiers
IUPAC name
1-cyanoethenyl acetate
InchI
InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3
InchI Key
LFSHREXVLSTLFB-UHFFFAOYSA-N
SMILES
CC(=O)OC(=C)C#N
Canonical SMILES
CC(=O)OC(=C)C#N
Isomeric SMILES
CC(=O)OC(=C)C#N
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H5NO2
Heavy Atom Count
8
Molecular Weight
111.1
Exact Molecular Weight
111.032
Valence Electrons
42
Radical Electrons
0
tPSA
50.09
MolLogP
0.5868
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
13 12 0 0 0 0 0 0 0 0999 V2000
0.1592 0.8268 2.5682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1083 0.1006 1.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8015 -0.9606 1.4051 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3295 0.4841 0.0726 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0319 -0.2577 -1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4724 0.1393 -2.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7489 -1.4524 -0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3933 -2.4054 -0.8650 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9731 0.2482 3.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7777 0.7998 3.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 1.8504 2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2615 -0.4077 -3.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0568 1.0345 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 3
5 7 1 0
7 8 3 0
1 9 1 0
1 10 1 0
1 11 1 0
6 12 1 0
6 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers