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30652-14-3 | 4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-(1-methylethyl)-
CAS No: 30652-14-3 Catalog No: AG0030RI MDL No:MFCD19275941
Product Description
Catalog Number:
AG0030RI
Chemical Name:
4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-(1-methylethyl)-
CAS Number:
30652-14-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD19275941
IUPAC Name:
3-hydroxy-2-methyl-1-propan-2-ylpyridin-4-one
InChI:
InChI=1S/C9H13NO2/c1-6(2)10-5-4-8(11)9(12)7(10)3/h4-6,12H,1-3H3
InChI Key:
UPFWEAFOAQNIHR-UHFFFAOYSA-N
SMILES:
O=c1ccn(c(c1O)C)C(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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