Name: Name:2-{4-oxo-1-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}acetic acid
Brand: Angene
SKU: AG01EKT5
Rating: 90 (10 reviews)

2-{4-oxo-1-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}acetic acid

CAS No.:

2126160-98-1

Catalog Number:

AG01EKT5

Molecular Formula:

C13H11N3O3

Molecular Weight:

257.2447

Catalog Number:

AG01EKT5

Chemical Name:

2-{4-oxo-1-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}acetic acid

CAS Number:

2126160-98-1

Molecular Formula:

C13H11N3O3

Molecular Weight:

257.2447

MDL Number:

MFCD31381175

IUPAC Name:

2-(4-oxo-1-phenyl-6H-pyrrolo[3,4-c]pyrazol-5-yl)acetic acid

InChI:

InChI=1S/C13H11N3O3/c17-12(18)8-15-7-11-10(13(15)19)6-14-16(11)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,17,18)

InChI Key:

FACPZBSRZKWPOR-UHFFFAOYSA-N

SMILES:

OC(=O)CN1Cc2c(C1=O)cnn2c1ccccc1

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.249g/mol

Monoisotopic Mass:

257.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6