Home Carboxys 4-oxo-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxylic acid

4-oxo-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxylic acid

CAS No.:
1547038-31-2
Catalog Number:
AG01DVM3
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
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Product Description
Catalog Number:
AG01DVM3
Chemical Name:
4-oxo-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxylic acid
CAS Number:
1547038-31-2
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD26722828
IUPAC Name:
4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H7NO4/c10-7-6-4(8(11)12)3-13-5(6)1-2-9-7/h3H,1-2H2,(H,9,10)(H,11,12)
InChI Key:
GSTJMIFWMFSDCA-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1c(co2)C(=O)O
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties