2-oxo-2-(trimethyl-1H-pyrazol-4-yl)acetic acid - CAS 637336-34-6

Catalog:	BB032250
Product Name:	2-oxo-2-(trimethyl-1H-pyrazol-4-yl)acetic acid
CAS:	637336-34-6
Synonyms:	2-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)acetic acid; 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
Description:	2-oxo-2-(trimethyl-1H-pyrazol-4-yl)acetic acid (CAS# 637336-34-6) is a useful research chemical.
Molecular Weight:	182.179
Molecular Formula:	C8H10N2O3
Canonical SMILES:	CC1=C(C(=NN1C)C)C(=O)C(=O)O
InChI:	InChI=1S/C8H10N2O3/c1-4-6(7(11)8(12)13)5(2)10(3)9-4/h1-3H3,(H,12,13)
InChI Key:	KUKWJQSSIWGSLC-UHFFFAOYSA-N
LogP:	0.30420

Publication Number	Title	Priority Date
AU-2003236702-A1	Amide substituted xanthine derivatives with gluconeogenesis modulating activity	20020612
AU-2003236702-B2	Amide substituted xanthine derivatives with gluconeogenesis modulating activity	20020612
CA-2487033-C	Amide substituted xanthine derivatives with gluconeogenesis modulating activity	20020612
EP-1515972-A1	Amide substituted xanthine derivatives with gluconeogenesis modulating activity	20020612
EP-1515972-B1	Amide substituted xanthine derivatives with gluconeogenesis modulating activity	20020612

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Related Functional Groups

Pyrazoles

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.06914219
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.06914219
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4