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14705-23-8 | 3-Hexanone, 5-hydroxy-2,2,5-trimethyl-
CAS No: 14705-23-8 Catalog No: AG001EKD MDL No:
Product Description
Catalog Number:
AG001EKD
Chemical Name:
3-Hexanone, 5-hydroxy-2,2,5-trimethyl-
CAS Number:
14705-23-8
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
5-hydroxy-2,2,5-trimethylhexan-3-one
InChI:
InChI=1S/C9H18O2/c1-8(2,3)7(10)6-9(4,5)11/h11H,6H2,1-5H3
InChI Key:
KWRSZLJIANZKIX-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CC(O)(C)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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