2-Oxoadipic acid - CAS 3184-35-8

Catalog:	BB021075
Product Name:	2-Oxoadipic acid
CAS:	3184-35-8
Synonyms:	2-oxohexanedioic acid

Technical Data

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Computed Properties

IUPAC Name:	2-oxohexanedioic acid
Description:	2-Oxoadipic acid (CAS# 3184-35-8) is a useful research chemical.
Molecular Weight:	160.12
Molecular Formula:	C6H8O5
Canonical SMILES:	C(CC(=O)C(=O)O)CC(=O)O
InChI:	InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
InChI Key:	FGSBNBBHOZHUBO-UHFFFAOYSA-N
Boiling Point:	364.3 °C at 760 mmHg
Melting Point:	127 °C
Density:	1.405 g/cm³
Appearance:	Solid
MDL:	MFCD00010004
LogP:	-0.10500

Publication Number	Title	Priority Date
CN-111979254-A	Acinetobacter phenol hydroxylase gene, protein coded by same and cloning method of gene	20200629
CN-112063636-A	Acinetobacter phenol hydroxylase gene, protein coded by same, cloning method and vector of protein, and host cell	20200602
WO-2021203033-A2	Methods and compositions to alter hepatic gaba release to treat obesity-related conditions	20200402
WO-2021108209-A1	Biocatalysts and methods for hydroxylation of chemical compounds	20191126
WO-2021081185-A1	Microorganisms and methods for increasing co-factors	20191023

PMID	Publication Date	Title	Journal
23107040	20130301	Homoisocitrate dehydrogenase from Candida albicans: properties, inhibition, and targeting by an antifungal pro-drug	FEMS yeast research
23001033	20121101	Enzyme redesign guided by cancer-derived IDH1 mutations	Nature chemical biology
22639632	20120101	The plant mitochondrial carrier family: functional and evolutionary aspects	Frontiers in plant science
21813504	20111201	Structure of Thermus thermophilus homoisocitrate dehydrogenase in complex with a designed inhibitor	Journal of biochemistry
21982920	20111201	Mechanism of the aromatic aminotransferase encoded by the Aro8 gene from Saccharomyces cerevisiae	Archives of biochemistry and biophysics

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.03717335
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.03717335
Rotatable Bond Count:	5
Topological Polar Surface Area:	91.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5