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
-2.2205 -0.9164 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2422 -0.1067 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6951 0.8178 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2053 -0.3176 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6373 -1.1903 -0.7272 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0914 0.4368 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4930 0.3208 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8803 0.5901 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1749 0.8184 -1.7929 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3259 -0.4219 -1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8503 -1.9426 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2100 -0.8975 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7565 0.9550 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9779 1.4216 1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8740 -0.6574 1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9222 1.0900 1.3801 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