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
-0.8672 -0.1105 1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2782 0.1720 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5298 0.4522 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3070 0.1448 -0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6829 0.3881 -1.8788 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0485 -0.1498 -0.4558 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9100 -0.1522 -1.5558 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2789 -0.4767 -1.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3590 -0.7121 -0.7743 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4698 0.7770 2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1313 -0.9650 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7285 -0.4804 2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2431 0.4721 0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8687 0.6652 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8730 0.8694 -2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6370 -0.8941 -2.3238 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