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13200-35-6 | 4-Piperidinone, 2,6-dimethyl-, (2R,6S)-rel-
CAS No: 13200-35-6 Catalog No: AG00101X MDL No:MFCD19217409
Product Description
Catalog Number:
AG00101X
Chemical Name:
4-Piperidinone, 2,6-dimethyl-, (2R,6S)-rel-
CAS Number:
13200-35-6
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD19217409
IUPAC Name:
(2R,6S)-2,6-dimethylpiperidin-4-one
InChI:
InChI=1S/C7H13NO/c1-5-3-7(9)4-6(2)8-5/h5-6,8H,3-4H2,1-2H3/t5-,6+
InChI Key:
LVYOYMNCAWSORG-OLQVQODUSA-N
SMILES:
C[C@@H]1N[C@H](C)CC(=O)C1
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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