Name: Name:3-oxo-2H,3H,5H,6H,7H-cyclopenta[c]pyridazine-4-carboxylic acid
Brand: Angene
SKU: AG01DVH2
Rating: 90 (10 reviews)

3-oxo-2H,3H,5H,6H,7H-cyclopenta[c]pyridazine-4-carboxylic acid

CAS No.:

1512619-10-1

Catalog Number:

AG01DVH2

Molecular Formula:

C8H8N2O3

Molecular Weight:

180.1607

Catalog Number:

AG01DVH2

Chemical Name:

3-oxo-2H,3H,5H,6H,7H-cyclopenta[c]pyridazine-4-carboxylic acid

CAS Number:

1512619-10-1

Molecular Formula:

C8H8N2O3

Molecular Weight:

180.1607

MDL Number:

MFCD31616601

IUPAC Name:

3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazine-4-carboxylic acid

InChI:

InChI=1S/C8H8N2O3/c11-7-6(8(12)13)4-2-1-3-5(4)9-10-7/h1-3H2,(H,10,11)(H,12,13)

InChI Key:

XBMUYMQBFDJKOQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(=O)[nH]nc2c1CCC2

Complexity:

354

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:

78.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2