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13249-46-2 | 2-Furanacetic acid, 2-carboxy-2,5-dihydro-5-oxo-
CAS No: 13249-46-2 Catalog No: AG0010QX MDL No:MFCD20648111
Product Description
Catalog Number:
AG0010QX
Chemical Name:
2-Furanacetic acid, 2-carboxy-2,5-dihydro-5-oxo-
CAS Number:
13249-46-2
Molecular Formula:
C7H6O6
Molecular Weight:
186.1189
MDL Number:
MFCD20648111
IUPAC Name:
2-(carboxymethyl)-5-oxofuran-2-carboxylic acid
InChI:
InChI=1S/C7H6O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-2H,3H2,(H,8,9)(H,11,12)
InChI Key:
DHCUIDTZCMREHG-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(C=CC(=O)O1)C(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.119g/mol
Monoisotopic Mass:
186.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| Functional genomics of pH homeostasis in Corynebacterium glutamicum revealed novel links between pH response, oxidative stress, iron homeostasis and methionine synthesis. | BMC genomics 20090101 |
| Growth of Yersinia pseudotuberculosis in human plasma: impacts on virulence and metabolic gene expression. | BMC microbiology 20080101 |
| Construction and validation of a first-generation Bordetella bronchiseptica long-oligonucleotide microarray by transcriptional profiling the Bvg regulon. | BMC genomics 20070101 |
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