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121955-82-6 | Cyclohexanecarbonitrile, 1-methyl-4-oxo-
CAS No: 121955-82-6 Catalog No: AG0016GE MDL No:MFCD17013932
Product Description
Catalog Number:
AG0016GE
Chemical Name:
Cyclohexanecarbonitrile, 1-methyl-4-oxo-
CAS Number:
121955-82-6
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD17013932
IUPAC Name:
1-methyl-4-oxocyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H11NO/c1-8(6-9)4-2-7(10)3-5-8/h2-5H2,1H3
InChI Key:
DDSBNJVJUCCGNO-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCC(=O)CC1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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