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1006713-07-0

1006713-07-0 | 2-Piperidinone, 6-methyl-5-nitro-, (5R,6S)-

CAS No: 1006713-07-0 Catalog No: AG0002LU MDL No:

Product Description

Catalog Number:
AG0002LU
Chemical Name:
2-Piperidinone, 6-methyl-5-nitro-, (5R,6S)-
CAS Number:
1006713-07-0
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
IUPAC Name:
6-methyl-5-nitropiperidin-2-one
InChI:
InChI=1S/C6H10N2O3/c1-4-5(8(10)11)2-3-6(9)7-4/h4-5H,2-3H2,1H3,(H,7,9)
InChI Key:
MUHPYNBSHDXJEG-UHFFFAOYSA-N
SMILES:
O=C1CC[C@H]([C@@H](N1)C)[N+](=O)[O-]

Properties

Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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