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
2.9243 0.6855 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2731 0.1565 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8666 -0.1913 0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3491 0.0489 -0.9574 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1249 -0.7464 1.1509 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1910 -1.0884 1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1638 0.0287 1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.9033 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1455 1.6169 -1.0059 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9867 0.9450 -0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 0.9066 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7479 -0.0346 1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4869 -1.8368 1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3358 -1.6851 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2240 -0.4022 1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0976 0.6933 1.9636 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