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
-3.1293 0.3715 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2602 -0.4840 -0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8838 -0.5690 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1241 -1.4225 -0.9965 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 0.2205 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 0.1762 1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.4530 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2731 0.3803 0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3277 0.3076 1.1608 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8543 1.0466 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1219 0.4090 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5825 -1.1537 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9843 0.9991 1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1691 -0.7518 1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8826 -0.2302 -0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8359 1.5032 -0.3398 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