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
-2.9579 0.4723 -1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4327 -0.4884 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0938 -0.3944 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6570 -1.3523 0.4551 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2523 0.6741 -0.4497 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0380 0.7000 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9464 -0.3985 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2438 -0.2159 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2642 -0.0804 0.8111 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3646 1.3557 -1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9502 0.4331 -1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0297 -1.3552 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0222 0.6460 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5477 1.6738 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5437 -1.4050 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1321 -0.2649 -1.4671 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