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Home Carboxys 4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 2,3-dimethyl-

4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 2,3-dimethyl-

CAS No.:
145161-93-9
Catalog Number:
AG01DTDK
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG01DTDK
Chemical Name:
4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 2,3-dimethyl-
CAS Number:
145161-93-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD03232515
IUPAC Name:
2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
InChI:
InChI=1S/C9H9NO3/c1-4-5(2)13-7-3-6(9(11)12)10-8(4)7/h3,10H,1-2H3,(H,11,12)
InChI Key:
GLXWNFBYRBJQAP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(c(o2)C)C
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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