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Home > Pyridines > 265996-25-6
265996-25-6 | 2(1H)-Pyridinone, 3,6-dihydro-6-(1-methylethyl)-, (6S)-
CAS No: 265996-25-6 Catalog No: AG002TTE MDL No:
Product Description
Catalog Number:
AG002TTE
Chemical Name:
2(1H)-Pyridinone, 3,6-dihydro-6-(1-methylethyl)-, (6S)-
CAS Number:
265996-25-6
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
(2S)-2-propan-2-yl-2,5-dihydro-1H-pyridin-6-one
InChI:
InChI=1S/C8H13NO/c1-6(2)7-4-3-5-8(10)9-7/h3-4,6-7H,5H2,1-2H3,(H,9,10)/t7-/m1/s1
InChI Key:
VQQIKFKZWCEQMM-SSDOTTSWSA-N
SMILES:
O=C1CC=C[C@@H](N1)C(C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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