Home Other Building Blocks 2-METHYL-1-PHENYLPENTAN-3-ONE

2-METHYL-1-PHENYLPENTAN-3-ONE

CAS No.:
23936-95-0
Catalog Number:
AG01EJVW
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
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Product Description
Catalog Number:
AG01EJVW
Chemical Name:
2-METHYL-1-PHENYLPENTAN-3-ONE
CAS Number:
23936-95-0
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD16301690
IUPAC Name:
2-methyl-1-phenylpentan-3-one
InChI:
InChI=1S/C12H16O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChI Key:
DTLXHCFHRITUHW-UHFFFAOYSA-N
SMILES:
CCC(=O)C(Cc1ccccc1)C
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Total synthesis and structural elucidation of (-)-maurenone. The Journal of organic chemistry 20060106
Properties