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
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
0.1594 2.1150 1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4569 1.1476 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4718 1.5643 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0761 -0.1950 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0397 -0.5212 1.0134 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4291 -1.1836 -0.5579 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1572 -2.4916 -0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5572 -2.4186 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6603 -2.3807 -1.2186 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1496 2.4669 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5309 2.9599 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3752 1.5427 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8860 2.5379 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9371 0.8528 -1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0075 -2.9170 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4552 -3.0796 -1.2748 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