Monomers
2-Cyanoethyl acrylate
Identifiers
IUPAC name
2-cyanoethyl prop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2
InchI Key
AEPWOCLBLLCOGZ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCC#N
Canonical SMILES
C=CC(=O)OCCC#N
Isomeric SMILES
C=CC(=O)OCCC#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
50.09
MolLogP
0.6293
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
16 15 0 0 0 0 0 0 0 0999 V2000
0.0642 -2.4693 -2.1647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7222 -1.4461 -1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3120 -0.7479 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7296 -1.1426 0.1343 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9669 0.3098 0.0332 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7792 1.0974 1.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4530 1.9404 1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6924 1.2327 1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7425 0.6375 1.3663 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3962 -2.9561 -3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8057 -2.8105 -1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5981 -1.0995 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7590 0.4415 2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6796 1.7777 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3664 2.5258 2.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4877 2.7092 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 3 0
1 10 1 0
1 11 1 0
2 12 1 0
6 13 1 0
6 14 1 0
7 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers