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
-2.5616 1.3557 1.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3205 1.0052 0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0060 0.5540 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8283 0.2318 -1.5425 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0738 0.4589 0.5042 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3527 0.0354 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3991 -1.3641 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7987 -1.6692 -0.7348 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9125 -1.8915 -0.9947 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 1.3191 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5361 1.6895 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1386 1.0631 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7130 0.7122 -0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0091 0.0724 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8193 -1.5100 -1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0968 -2.0626 0.4133 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