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
-1.5984 1.7386 -2.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5383 0.3472 -2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6743 -0.1564 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6044 -1.4439 -0.8339 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1848 0.5118 -0.1537 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0273 -0.1067 0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5229 -1.0687 1.7553 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7776 -1.4516 2.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7777 -1.7539 3.0212 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9473 2.1869 -1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2097 2.1850 -2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1576 -0.1997 -2.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9366 -0.5606 0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5200 0.7303 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1288 -1.9991 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1458 -0.5903 2.4527 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