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Home Other Building Blocks 2,2-Dimethyl-5-phenyldihydrofuran-3(2H)-one

2,2-Dimethyl-5-phenyldihydrofuran-3(2H)-one

CAS No.:
63678-00-2
Catalog Number:
AG0036XA
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$789
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Product Description
Catalog Number:
AG0036XA
Chemical Name:
2,2-Dimethyl-5-phenyldihydrofuran-3(2H)-one
CAS Number:
63678-00-2
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD01632069
IUPAC Name:
2,2-dimethyl-5-phenyloxolan-3-one
InChI:
InChI=1S/C12H14O2/c1-12(2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChI Key:
BPOHJJWGUCBNFI-UHFFFAOYSA-N
SMILES:
O=C1CC(OC1(C)C)c1ccccc1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties