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Home Carboxys 2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

CAS No.:
86345-44-0
Catalog Number:
AG004MAX
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
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Product Description
Catalog Number:
AG004MAX
Chemical Name:
2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CAS Number:
86345-44-0
Molecular Formula:
C13H9NO3
Molecular Weight:
227.2155
MDL Number:
MFCD11868788
IUPAC Name:
2-phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
InChI:
InChI=1S/C13H9NO3/c15-13(16)10-7-12-9(14-10)6-11(17-12)8-4-2-1-3-5-8/h1-7,14H,(H,15,16)
InChI Key:
YBXIFUGEUZCJFX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)cc(o2)c1ccccc1
NSC Number:
381783
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.058g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.219g/mol
Monoisotopic Mass:
227.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors. Bioorganic & medicinal chemistry letters 20080601
Properties