(4-Oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid - CAS 923758-13-8

Catalog:	BB048968
Product Name:	(4-Oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid
CAS:	923758-13-8
Synonyms:	2-(4-Oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetic acid; 2-(4-oxo-1-phenyl-5-hydropyrazolo[5,4-d]pyrimidin-5-yl)acetic acid; 2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid; 5H-Pyrazolo[3,4-d]pyrimidine-5-acetic acid, 1,4-dihydro-4-oxo-1-phenyl-

Technical Data

IUPAC Name:	2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetic acid
Description:	(4-Oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid (CAS# 923758-13-8 ) is a useful research chemical.
Molecular Weight:	270.24
Molecular Formula:	C13H10N4O3
Canonical SMILES:	C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)O
InChI:	InChI=1S/C13H10N4O3/c18-11(19)7-16-8-14-12-10(13(16)20)6-15-17(12)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,18,19)
InChI Key:	HOWWDEQVIAKICD-UHFFFAOYSA-N
Boiling Point:	544.7±56.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.5±0.1 g/cm³

Complexity:	433
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.07529019
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	270.07529019
Rotatable Bond Count:	3
Topological Polar Surface Area:	87.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8