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
2.7214 -0.0629 2.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -0.3922 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8588 -0.3386 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0211 0.0261 1.4584 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3369 -0.6756 -0.6624 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0347 -0.6358 -0.9859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6145 0.7414 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0442 0.7741 -1.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1827 0.7857 -1.4634 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1046 0.2591 2.8714 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7976 -0.1017 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9775 -0.7044 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 -0.8974 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6098 -1.3967 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4040 1.2447 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1208 1.3740 -1.6488 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