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
-2.3803 0.0924 -2.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0929 -0.0039 -2.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4562 0.3541 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 0.7798 0.1193 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8966 0.2555 -0.6518 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4744 0.6052 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0118 -0.1736 1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2827 -1.6077 1.6021 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4940 -2.7574 1.4991 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9161 -0.1489 -3.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9904 0.4592 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4724 -0.3588 -2.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2178 1.6772 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5832 0.5803 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0520 0.0051 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5774 0.2415 2.6336 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