Glutaconic acid - CAS 1724-02-3

Name: Glutaconic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB043738
Product Name:	Glutaconic acid
CAS:	1724-02-3
Synonyms:	2-Pentenedioic acid; Pent-2-ene-1,5-dioic acid; Pentenedioic acid

Technical Data

IUPAC Name:	(E)-pent-2-enedioic acid
Description:	Glutaconic acid (CAS# 1724-02-3) is used in the synthesis of dialkyltin derivatives of dicarboxylic acids which display antitumor properties. Also used in the synthesis of novel tetracyclic compounds as peripheral benzodiazepine receptor ligands with potential use for CNS illness treatments.
Molecular Weight:	130.10
Molecular Formula:	C5H6O4
Canonical SMILES:	C(C=CC(=O)O)C(=O)O
InChI:	InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
InChI Key:	XVOUMQNXTGKGMA-OWOJBTEDSA-N
Boiling Point:	413.8 °C at 760 mmHg
Melting Point:	133 - 135 °C
Purity:	98 %
Density:	1.384 g/cm³
Appearance:	White powder
MDL:	MFCD00002784
LogP:	0.10190

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PMID	Publication Date	Title	Journal
21904744	20111021	Coordination driven axial chirality in a microporous solid assembled from an achiral linker via in situ C-N coupling	Chemical communications (Cambridge, England)
21431622	20110601	Diagnosis and management of glutaric aciduria type I--revised recommendations	Journal of inherited metabolic disease
21434666	20110503	Substrate specificity of 2-hydroxyglutaryl-CoA dehydratase from Clostridium symbiosum: toward a bio-based production of adipic acid	Biochemistry
21512596	20110330	The preparation of 3-substituted-1,5-dibromopentanes as precursors to heteracyclohexanes	Beilstein journal of organic chemistry
19595601	20090801	Effects of structural analogues of the substrate and allosteric regulator of the human mitochondrial NAD(P)+-dependent malic enzyme	Bioorganic & medicinal chemistry

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	130.02660867
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.02660867
Rotatable Bond Count:	3
Topological Polar Surface Area:	74.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3