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
-1.5586 -0.1305 1.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1117 -0.3799 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6464 -1.0053 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4281 0.0815 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6420 -0.1412 -0.4260 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 0.7413 -1.1132 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2754 1.1402 -2.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7924 -0.0369 -3.0233 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2128 -0.9777 -3.6023 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6725 0.1144 2.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8888 0.7132 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0995 -1.0747 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6820 -1.1663 1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2953 -1.3636 2.9327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4032 1.6954 -2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1247 1.7903 -2.0054 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