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
-1.4975 1.3211 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3013 -0.1054 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 -0.9213 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0386 -0.6007 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0384 -1.8183 0.3108 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0713 0.2515 0.1823 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2345 -0.3699 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3415 0.5284 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2386 1.2337 0.9830 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5859 1.7728 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7446 1.9217 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3237 1.4481 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2020 -1.9596 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2876 -0.6240 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9179 -0.8426 1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 -1.2355 0.0207 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