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
3.0459 -1.5648 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3560 -0.5086 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8766 -0.5979 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2364 -1.5792 -0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2276 0.6202 0.5189 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1301 0.8768 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5648 1.0092 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0808 1.1636 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3230 1.2750 -0.9575 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4571 -2.4264 -0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0828 -1.5629 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8598 0.3507 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5065 1.5992 1.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6917 -0.1169 0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 1.6050 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6084 -0.1429 -1.5119 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