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25774-02-1 | 3-(Benzyloxy)-3-oxo-2-phenylpropanoic acid
CAS No: 25774-02-1 Catalog No: AG003TPU MDL No:MFCD00051723
Product Description
Catalog Number:
AG003TPU
Chemical Name:
3-(Benzyloxy)-3-oxo-2-phenylpropanoic acid
CAS Number:
25774-02-1
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD00051723
IUPAC Name:
3-oxo-2-phenyl-3-phenylmethoxypropanoic acid
InChI:
InChI=1S/C16H14O4/c17-15(18)14(13-9-5-2-6-10-13)16(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)
InChI Key:
QSBAHMROFICXDC-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)C(=O)OCc1ccccc1
EC Number:
247-257-7
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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