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
-2.3280 0.3299 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0370 -0.3833 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8122 -1.4618 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 0.1111 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2479 1.1450 -1.0617 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2052 -0.5010 -0.5559 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1732 0.0034 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5888 1.3637 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9261 2.4253 -0.8823 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2673 0.9124 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4655 0.9920 -0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1656 -0.3846 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5257 -1.8784 1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1337 -1.9678 1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0748 -0.6459 -1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7759 -0.0600 -2.4812 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