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62969-85-1 | 6-(1-Methylethyl)-2(1H)-Pyridinone
CAS No: 62969-85-1 Catalog No: AG00ELMD MDL No:MFCD11876342
Product Description
Catalog Number:
AG00ELMD
Chemical Name:
6-(1-Methylethyl)-2(1H)-Pyridinone
CAS Number:
62969-85-1
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD11876342
IUPAC Name:
6-propan-2-yl-1H-pyridin-2-one
InChI:
InChI=1S/C8H11NO/c1-6(2)7-4-3-5-8(10)9-7/h3-6H,1-2H3,(H,9,10)
InChI Key:
XNDNTUOEUNAQAX-UHFFFAOYSA-N
SMILES:
Oc1cccc(n1)C(C)C
Properties
Complexity:
201
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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