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82343-53-1 | 2H-Pyran-2-one, 6-(1,1-dimethylethyl)-4-methyl-
CAS No: 82343-53-1 Catalog No: AG00541D MDL No:
Product Description
Catalog Number:
AG00541D
Chemical Name:
2H-Pyran-2-one, 6-(1,1-dimethylethyl)-4-methyl-
CAS Number:
82343-53-1
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
6-tert-butyl-4-methylpyran-2-one
InChI:
InChI=1S/C10H14O2/c1-7-5-8(10(2,3)4)12-9(11)6-7/h5-6H,1-4H3
InChI Key:
SIAXJAZJFHRGPP-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)oc(c1)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:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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