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
-2.1489 -1.1288 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0015 -0.8527 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8303 -1.5714 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0942 0.2332 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2647 0.9169 1.3763 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0163 0.5616 -0.4396 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8766 1.6104 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9467 1.7389 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8088 1.8422 -1.8208 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8472 -1.7929 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9985 -1.6144 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5428 -0.1968 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0046 -1.3999 -1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5088 -2.3634 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3243 1.4610 0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2688 2.5562 -0.0736 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