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79-91-4 | Terebic Acid , 98%
CAS No: 79-91-4 Catalog No: AG003UIE MDL No:MFCD00022485
Product Description
Catalog Number:
AG003UIE
Chemical Name:
Terebic Acid , 98%
CAS Number:
79-91-4
MDL Number:
MFCD00022485
IUPAC Name:
2,2-dimethyl-5-oxooxolane-3-carboxylic acid
InChI:
InChI=1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)
InChI Key:
UZBOWOQARWWIER-UHFFFAOYSA-N
EC Number:
201-233-2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| (±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid (terebic acid): a racemic layered structure. | Acta crystallographica. Section C, Crystal structure communications 20120801 |
| 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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