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
-2.5684 1.6468 0.9491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6839 0.7130 1.2138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8910 0.0937 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0291 0.4362 -1.0184 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 -0.8938 0.4518 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -1.5023 -0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6846 -0.5335 -1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5933 0.1226 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3280 0.6544 0.3948 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1769 2.1298 1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6882 1.9436 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5752 0.4269 2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5148 -2.2112 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2148 -2.1119 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1358 0.2148 -1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2774 -1.1291 -2.0380 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