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1226-91-1

1226-91-1 | 1,5-Pentanedione, 3-methyl-1,5-diphenyl-

CAS No: 1226-91-1 Catalog No: AG0017J5 MDL No:

Product Description

Catalog Number:
AG0017J5
Chemical Name:
1,5-Pentanedione, 3-methyl-1,5-diphenyl-
CAS Number:
1226-91-1
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
3-methyl-1,5-diphenylpentane-1,5-dione
InChI:
InChI=1S/C18H18O2/c1-14(12-17(19)15-8-4-2-5-9-15)13-18(20)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChI Key:
NXXCHGCIGOMMIZ-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccccc1)CC(=O)c1ccccc1

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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