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
-0.8589 -1.6668 0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1994 -0.2382 0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3285 0.2681 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2527 0.6051 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5189 1.8125 -0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9467 0.1104 -0.5191 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8282 0.9762 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0233 0.2877 -1.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9615 -0.2677 -1.9953 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2927 -1.9885 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2451 -1.7760 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3108 -2.2482 0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0078 -0.3501 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 1.2925 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2306 1.3185 -2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1070 1.8645 -0.6707 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