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8-Hydroxy-5-methyl-2-octanone

CAT: 0024-sc-491105Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-491105Size:2.5 mg
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CAS Number
52330-09-3

Chemical Information

8-Hydroxy-5-methyl-2-octanone
CAS Number52330-09-3
PubChem CID131667838
IUPAC Name8-hydroxy-5-methyloctan-2-one
Molecular FormulaC9H18O2
Molecular Weight158.24
XLogP1.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity110
SMILES
CC(CCCO)CCC(=O)C
InChI
InChI=1S/C9H18O2/c1-8(4-3-7-10)5-6-9(2)11/h8,10H,3-7H2,1-2H3
InChIKey
FUXLGHLNRPMMLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxy-5-methyl-2-octanone
CAS: 52330-09-3
CID: 131667838
Formula: C9H18O2
MW: 158.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.24
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass158.130679813
Monoisotopic Mass158.130679813
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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