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Oxoadipic acid

CAT: 0013-GTR19168265-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168265-01Size:1 mg
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Description
Oxoadipic acid
CAS Number
3184-35-8
Product Name Alternative
Inhibit, Inhibitor, Human Endogenous Metabolite, Endogenous Metabolite, EndogenousMetabolite, 2-Oxoadipic acid, Oxoadipic acid
Field of Research
Metabolism Research
Purity
96.61% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:2 mg/mL (12.49 mM) ; DMSO:45 mg/mL (281.04 mM)
Smiles
OC (=O) CCCC (=O) C (O) =O
Molecular Formula
C6H8O5
Molecular Weight
160.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Oxoadipic acid

2-oxoadipic acid is an oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. It has a role as a mouse metabolite and a human urinary metabolite. It is functionally related to an adipic acid. It is a conjugate acid of a 2-oxoadipate(2-).

CAS Number3184-35-8
PubChem CID71
IUPAC Name2-oxohexanedioic acid
Molecular FormulaC6H8O5
Molecular Weight160.12
XLogP-0.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity183
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)
InChIKey
FGSBNBBHOZHUBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Oxoadipic acid
CAS: 3184-35-8
CID: 71
Formula: C6H8O5
MW: 160.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.12
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass160.03717335
Monoisotopic Mass160.03717335
Topological Polar Surface Area91.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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C8657-50Oxoadipic acid
A18683-50Oxoadipic acid 50mg
A18683-10Oxoadipic acid 10mg
DAA18435-012-Oxoadipic acid
A18683-100Oxoadipic acid 100mg
A18683-25Oxoadipic acid 25mg
A18683-5Oxoadipic acid 5mg
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