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
-2.8820 0.8230 2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 0.2771 1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 0.3446 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 0.9362 1.7426 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2415 -0.2097 -0.2041 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1796 -0.1143 -0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6314 -0.8011 -1.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0888 -0.6685 -1.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2170 -0.5549 -1.7680 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9412 0.7786 2.2782 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2719 1.3240 2.8495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9672 -0.2236 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4057 0.9700 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7068 -0.6047 0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3925 -1.8841 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1205 -0.3925 -2.5140 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