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52938-97-3 | 5-Phenylfuran-2-carboxylic acid
CAS No: 52938-97-3 Catalog No: AG003MYC MDL No:MFCD00456304
Product Description
Catalog Number:
AG003MYC
Chemical Name:
5-Phenylfuran-2-carboxylic acid
CAS Number:
52938-97-3
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
MDL Number:
MFCD00456304
IUPAC Name:
5-phenylfuran-2-carboxylic acid
InChI:
InChI=1S/C11H8O3/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChI Key:
GUOMINFEASCICM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)c1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.182g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Metalloform-selective inhibition: synthesis and structure-activity analysis of Mn(II)-form-selective inhibitors of Escherichia coli methionine aminopeptidase. | Bioorganic & medicinal chemistry letters 20051215 |
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