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
3.2254 1.2486 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9324 1.2633 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1580 0.0378 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6822 -1.0443 -0.4528 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2242 0.0401 0.0561 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9847 -1.1383 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4470 -0.8064 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8794 0.2500 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 1.0832 -1.5485 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7102 0.3410 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7961 2.1392 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4402 2.1652 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6804 -1.8459 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8621 -1.5475 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0780 -1.6862 -0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5894 -0.4998 1.1788 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