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
-2.5894 -0.2386 -0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1455 0.0427 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7445 0.5173 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 -0.1999 0.4421 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5887 -0.6530 1.5373 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1700 0.0469 0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1444 -0.1659 1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4354 0.2256 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4531 0.5205 0.2642 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7622 -1.0104 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1042 -0.4593 -1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0380 0.7157 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4628 0.6935 -2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3061 0.7230 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 0.4561 2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1566 -1.2142 1.6608 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