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
0.8952 1.2311 1.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2366 0.6930 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4920 0.6354 1.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0480 -0.2741 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2808 -0.0730 -0.5260 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6594 -1.2029 -0.6413 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0274 -1.8125 -1.8579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0302 -0.5781 -2.7273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 0.5678 -3.5536 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6646 1.3822 2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8086 0.5497 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2815 2.2207 1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2008 0.1093 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9652 1.0456 2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5824 -2.5361 -2.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0480 -1.9582 -1.5327 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