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
-3.3876 -0.2045 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3080 -0.5284 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9824 -0.3693 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8780 0.0807 1.3723 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1618 -0.6914 -0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 -0.5986 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7938 0.8431 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1955 0.9218 0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3059 0.9761 1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3490 -0.3352 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3145 0.1872 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3919 -0.9131 -1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7271 -1.1875 0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1310 -0.8780 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7196 1.4742 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1041 1.2232 1.0467 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