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
-2.2756 -0.1721 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0700 0.3515 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9252 1.6529 0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0876 -0.5404 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1464 -1.7980 0.1762 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9931 -0.0386 -0.5891 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0111 -0.8310 -1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9985 0.0442 -1.7997 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7860 0.7631 -2.2971 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0998 -0.1563 2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4420 -1.2083 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1154 0.4947 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0626 2.0049 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6199 2.3865 0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5223 -1.4673 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5335 -1.4857 -1.9177 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