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126266-77-1 | Ethanone, 1-(1,3-benzodioxol-5-yl)-2-phenyl-
CAS No: 126266-77-1 Catalog No: AG000SGA MDL No:MFCD01333957
Product Description
Catalog Number:
AG000SGA
Chemical Name:
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-phenyl-
CAS Number:
126266-77-1
Molecular Formula:
C15H12O3
Molecular Weight:
240.2540
MDL Number:
MFCD01333957
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-2-phenylethanone
InChI:
InChI=1S/C15H12O3/c16-13(8-11-4-2-1-3-5-11)12-6-7-14-15(9-12)18-10-17-14/h1-7,9H,8,10H2
InChI Key:
GMPAXGVXZYFWRF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)OCO2)Cc1ccccc1
NSC Number:
26998
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.258g/mol
Monoisotopic Mass:
240.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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