Dimethyl Pyridine-2,4-dicarboxylate - CAS 25658-36-0

Catalog:	BB018994
Product Name:	Dimethyl Pyridine-2,4-dicarboxylate
CAS:	25658-36-0
Synonyms:	pyridine-2,4-dicarboxylic acid dimethyl ester; dimethyl pyridine-2,4-dicarboxylate

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Computed Properties

IUPAC Name:	dimethyl pyridine-2,4-dicarboxylate
Description:	Dimethyl Pyridine-2,4-dicarboxylate (CAS# 25658-36-0) is a useful research chemical.
Molecular Weight:	195.17
Molecular Formula:	C9H9NO4
Canonical SMILES:	COC(=O)C1=CC(=NC=C1)C(=O)OC
InChI:	InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-10-7(5-6)9(12)14-2/h3-5H,1-2H3
InChI Key:	TVKOFNSTLWFQHY-UHFFFAOYSA-N
Boiling Point:	302.5 °C at 760 mmHg
Density:	1.231 g/cm³
MDL:	MFCD00047434
LogP:	0.65480

Publication Number	Title	Priority Date
WO-2020157271-A2	Cosmetic composition comprising active agents for combating hair loss, thickening polymers, nonionic surfactants and propellants, and cosmetic treatment process	20190131
WO-2020157292-A1	Cosmetic composition comprising active agents for combating hair loss, thickening polymers and anionic polysaccharides, and treatment process	20190131
WO-2020035593-A1	Copolymer blends	20180817
EP-3654929-A1	Aqueous cosmetic composition comprising a pyridinedicarboxylic acid derivative and a hydroxystilbene	20170717
FR-3068886-A1	AQUEOUS COSMETIC COMPOSITION COMPRISING A PYRIDINE-DICARBOXYLIC ACID DERIVATIVE AND A HYDROXYSTILBENE	20170717

PMID	Publication Date	Title	Journal
20684604	20100812	Design, synthesis, enzyme-inhibitory activity, and effect on human cancer cells of a novel series of jumonji domain-containing protein 2 histone demethylase inhibitors	Journal of medicinal chemistry

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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:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05315777
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.05315777
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9