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
-0.8496 1.5068 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0205 0.0715 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9468 -0.6126 -1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1883 -0.6101 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3410 -1.8327 0.5331 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8254 0.0321 0.9994 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6101 -0.7057 1.9491 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5855 0.1744 2.5588 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3639 0.8767 3.0238 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8049 1.9505 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0623 1.5627 -1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4470 1.9916 -0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5707 -0.1185 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1100 -1.6627 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0536 -1.5787 1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9024 -1.0454 2.7329 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