Monomers
Cyanomethyl 2-methylprop-2-enoate
Identifiers
IUPAC name
cyanomethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-5(2)6(8)9-4-3-7/h1,4H2,2H3
InchI Key
KXTNMKREYTVOMX-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCC#N
Canonical SMILES
CC(=C)C(=O)OCC#N
Isomeric SMILES
CC(=C)C(=O)OCC#N
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
-0.0519 -1.0333 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4735 -0.0936 1.3105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5431 0.6528 1.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3413 -0.0419 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3616 -0.7599 -0.0337 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0058 0.8026 -0.9171 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7194 0.9358 -2.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7882 -0.3089 -2.8743 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8351 -1.3061 -3.4507 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5939 -1.9965 2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0366 -1.1817 2.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4004 -0.6055 3.3595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1178 0.5938 2.3558 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8552 1.3341 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7265 1.3301 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2214 1.6783 -2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 3 0
1 10 1 0
1 11 1 0
1 12 1 0
3 13 1 0
3 14 1 0
7 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers