(1-Methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid - CAS 923138-37-8

Name: (1-Methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB048989
Product Name:	(1-Methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid
CAS:	923138-37-8
Synonyms:	2-(1-methyl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetic acid; 2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid; (1-Methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetic acid; (1-Methyl-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid; 2-(1-methyl-4-oxo-5-hydropyrazolo[5,4-d]pyrimidin-5-yl)acetic acid

Technical Data

IUPAC Name:	2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetic acid
Description:	(1-Methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid (CAS# 923138-37-8 ) is a useful research chemical.
Molecular Weight:	208.17
Molecular Formula:	C8H8N4O3
Canonical SMILES:	CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)O
InChI:	InChI=1S/C8H8N4O3/c1-11-7-5(2-10-11)8(15)12(4-9-7)3-6(13)14/h2,4H,3H2,1H3,(H,13,14)
InChI Key:	XBLFBTFLTYLABI-UHFFFAOYSA-N
Boiling Point:	499.0±51.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.6±0.1 g/cm³

Complexity:	330
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.05964013
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.05964013
Rotatable Bond Count:	2
Topological Polar Surface Area:	87.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9