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
-1.0767 0.6600 1.7032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0680 -0.3954 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8790 -1.4312 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1405 -0.2944 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 -1.1703 -1.3632 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7360 0.7647 -0.5821 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6612 0.9558 -1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6217 -0.1166 -1.7141 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4098 -0.9857 -1.7819 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0777 0.9003 2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5933 1.5792 1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 0.2757 2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5862 -1.5555 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8541 -2.1845 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1903 1.0885 -2.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2178 1.9095 -1.3718 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