2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (6S)-


Chemical Name: 2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (6S)-
CAS Number: 532-65-0
Product Number: AG00DABI(AGN-PC-0OBURT)
Synonyms:
MDL No:
Molecular Formula: C15H20O
Molecular Weight: 216.3187

Identification/Properties


Computed Properties
Molecular Weight:
216.324g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
216.151g/mol
Monoisotopic Mass:
216.151g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
253
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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