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
2.3260 0.2433 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9808 1.0214 0.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9338 0.5862 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6324 1.3632 -0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2749 -0.5989 0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7200 -1.1475 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0720 -0.5578 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1336 0.7671 -1.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2044 1.8536 -1.5460 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1147 0.5582 2.6686 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 -0.7034 2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4568 1.9607 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3785 -1.1838 -1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8267 -2.2519 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7323 -1.2785 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5128 -0.6320 0.4545 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