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
-2.4248 1.9334 -0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5746 0.9827 -1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8960 0.1860 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0924 0.3731 1.0185 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0109 -0.8042 -0.5766 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 -1.6358 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6156 -0.8229 1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5828 -0.0481 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3402 0.5727 -0.1762 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9292 2.5255 -1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6093 2.1118 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3917 0.8058 -2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4185 -2.2280 -0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0787 -2.3140 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 -1.5278 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0374 -0.1102 1.8404 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