Home Carboxys 2-oxo-2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine-3-carboxylic acid

2-oxo-2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine-3-carboxylic acid

CAS No.:
1248899-71-9
Catalog Number:
AG01BICR
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG01BICR
Chemical Name:
2-oxo-2,5,7,8-tetrahydro-1H-pyrano[4,3-b]pyridine-3-carboxylic acid
CAS Number:
1248899-71-9
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD16070482
IUPAC Name:
2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c11-8-6(9(12)13)3-5-4-14-2-1-7(5)10-8/h3H,1-2,4H2,(H,10,11)(H,12,13)
InChI Key:
VCDJVXYQSIFMIH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2COCCc2[nH]c1=O
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties