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
-0.9577 1.7153 -0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3177 0.4242 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5655 0.1187 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2838 -0.5228 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5853 -1.6377 0.7106 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0807 -0.2494 -0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0213 -1.2336 0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3691 -0.7945 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4464 -0.4596 -0.1390 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1284 1.8571 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3084 2.5846 -0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4277 1.8759 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3365 0.8176 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8643 -0.8169 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7425 -2.1580 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8585 -1.5210 1.4418 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