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
-3.0655 1.0892 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3350 0.0256 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8866 0.1794 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3792 1.3170 0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0743 -0.8619 0.4736 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2780 -0.9494 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2483 -0.6728 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2106 0.6609 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1985 1.7416 -1.3139 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1219 1.0369 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6188 2.0802 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8218 -0.9328 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4464 -2.0280 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5529 -0.3786 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0959 -1.4302 -1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2726 -0.8771 0.0910 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