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
-0.2716 -0.0823 3.4278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 -0.6319 2.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1368 0.2017 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0496 1.4399 1.1521 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1694 -0.3315 -0.2168 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0011 0.4911 -1.3677 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0934 -0.4275 -2.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9516 -1.4126 -2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7933 -2.2124 -2.3997 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 0.9722 3.5509 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3977 -0.6838 4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4689 -1.6898 2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7386 1.2905 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0059 0.9781 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0140 0.2024 -3.4944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0864 -0.9042 -2.5617 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