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
-2.2328 0.2818 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1439 0.4694 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1862 1.4968 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0431 -0.4689 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0401 -1.4741 1.2661 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9861 -0.2341 -0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1308 -1.0363 -0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 -0.4039 -1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7335 0.1052 -2.2838 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7123 -0.7130 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7984 0.4034 2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0139 1.0817 1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3432 1.5632 -0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9376 2.2467 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8403 -2.0203 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6598 -1.2977 0.3976 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