459157-20-1 - Angene

4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2- carboxylic acid

CAS No.:

459157-20-1

Catalog Number:

AG00E6JH

Molecular Formula:

C8H8N2O3

Molecular Weight:

180.1607

Catalog Number:

AG00E6JH

Chemical Name:

4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2- carboxylic acid

CAS Number:

459157-20-1

Molecular Formula:

C8H8N2O3

Molecular Weight:

180.1607

MDL Number:

MFCD16658488

IUPAC Name:

4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylic acid

InChI:

InChI=1S/C8H8N2O3/c11-7-2-1-3-10-6(7)4-5(9-10)8(12)13/h4H,1-3H2,(H,12,13)

InChI Key:

BTXPQDNIJCRMTQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn2c(c1)C(=O)CCC2

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.163g/mol

Monoisotopic Mass:

180.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2