Name: Name:4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
Brand: Angene
SKU: AG01DWQS
Rating: 90 (10 reviews)

4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

CAS No.:

864872-01-5

Catalog Number:

AG01DWQS

Molecular Formula:

C6H4N4O3

Molecular Weight:

180.1210

Catalog Number:

AG01DWQS

Chemical Name:

4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

CAS Number:

864872-01-5

Molecular Formula:

C6H4N4O3

Molecular Weight:

180.1210

MDL Number:

MFCD06661801

IUPAC Name:

4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxylic acid

InChI:

InChI=1S/C6H4N4O3/c11-5-2-3(6(12)13)9-10-4(2)7-1-8-5/h1H,(H,12,13)(H2,7,8,9,10,11)

InChI Key:

BKRHQMHIXPQFQI-UHFFFAOYSA-N

SMILES:

OC(=O)c1n[nH]c2c1c(=O)[nH]cn2

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.123g/mol

Monoisotopic Mass:

180.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8