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63678-00-2 | Dihydro-2,2-dimethyl-5-phenyl-3(2H)-furanone
CAS No: 63678-00-2 Catalog No: AG0036XA MDL No:MFCD00463229
Product Description
Catalog Number:
AG0036XA
Chemical Name:
Dihydro-2,2-dimethyl-5-phenyl-3(2H)-furanone
CAS Number:
63678-00-2
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD00463229
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 |
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