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
-3.5189 0.7158 -0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2505 1.0181 -0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2139 0.0950 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5419 -0.9862 0.5136 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1420 0.3720 -0.2128 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0725 -0.5589 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5037 -0.1331 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 -1.1396 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2088 -1.9193 0.8717 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3185 1.3751 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7695 -0.2099 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0157 1.9536 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8966 -0.8399 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9297 -1.5056 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7223 0.0220 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7014 0.8393 0.5076 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