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
3.3602 -0.3906 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3642 0.4715 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0016 0.0033 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7626 -1.2150 -0.3052 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0147 0.8826 -0.5827 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 0.5594 -0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8877 -0.1533 0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2988 -0.4584 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4164 -0.6815 -0.0528 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1712 -1.4519 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3588 -0.0510 0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5818 1.5179 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 -0.0310 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9201 1.5382 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3247 -1.0680 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8278 0.5278 1.3344 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