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13130-13-7 | 2-Furancarboxylic acid, 5-(3-nitrophenyl)-
CAS No: 13130-13-7 Catalog No: AG000VWF MDL No:
Product Description
Catalog Number:
AG000VWF
Chemical Name:
2-Furancarboxylic acid, 5-(3-nitrophenyl)-
CAS Number:
13130-13-7
Molecular Formula:
C11H7NO5
Molecular Weight:
233.1770
IUPAC Name:
5-(3-nitrophenyl)furan-2-carboxylic acid
InChI:
InChI=1S/C11H7NO5/c13-11(14)10-5-4-9(17-10)7-2-1-3-8(6-7)12(15)16/h1-6H,(H,13,14)
InChI Key:
XWQLGLUTQIKSAJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.179g/mol
Monoisotopic Mass:
233.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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