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
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
-0.7259 -1.2392 -1.6272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9943 -0.7554 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0210 -1.2510 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1807 0.2655 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4127 0.6761 1.5348 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8764 0.7798 -0.3343 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6822 1.7835 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2839 1.2512 1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7466 0.8171 2.4817 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 -1.5577 -1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8291 -0.4432 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4040 -2.0763 -1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6523 -2.0094 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2576 -0.9317 1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0679 2.6524 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4694 2.0384 -0.4486 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