3-Ketoadipic acid

CAT: 0804-HY-W718418-03Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0804-HY-W718418-03Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

Description

3-Ketoadipic acid is a dicarboxylic acid containing a keto group that can be isolated from Brazilian propolis (Et-Bra) . Brazilian propolis exhibits antibacterial, antifungal, and antiparasitic activities[1].

CAS Number

689-31-6

UNSPSC

12352211

Hazard Statement

H302, H315, H319, H335

Target

Others

Related Pathways

Others

Field of Research

Others

Purity

95.0

Smiles

O=C(CC(CCC(O)=O)=O)O

Molecular Formula

C6H8O5

Molecular Weight

160.12

Precautions

H302, H315, H319, H335

References & Citations

[1]Salomão K, et al., Chemical composition and microbicidal activity of extracts from Brazilian and Bulgarian propolis. Lett Appl Microbiol. 2004;38 (2) :87-92.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

beta-Ketoadipic acid

3-oxoadipic acid is an oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position. It has a role as a bacterial xenobiotic metabolite and a human metabolite. It is a dicarboxylic fatty acid and an oxo dicarboxylic acid. It is functionally related to an adipic acid. It is a conjugate acid of a 3-oxoadipate(2-).

CAS Number	689-31-6
PubChem CID	93
IUPAC Name	3-oxohexanedioic acid
Molecular Formula	C6H8O5
Molecular Weight	160.12
XLogP	-0.9
Topological Polar Surface Area	91.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	183

SMILES

C(CC(=O)O)C(=O)CC(=O)O

InChI

InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)

InChIKey

RTGHRDFWYQHVFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 689-31-6

CID: 93

Formula: C6H8O5

MW: 160.12

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	160.12
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	160.03717335
Monoisotopic Mass	160.03717335
Topological Polar Surface Area	91.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-W016614	3,3'-Thiodipropanoic acid
HY-W010611-01	3,3-Dimethylacrylic acid
HY-133653-01	3,3-Dibromopropenoic acid
HY-W091636-01	3,3'-Azanediyldipropanoic acid
HY-W008097-01	3,3-Dimethylglutaric acid
HY-W127810-01	3,3',3''-Nitrilotripropionic Acid
HY-172357-01	Poly (3-hydroxybutyric acid-co-3-hydroxyvaleric acid)
HY-W585922-01	3β-Cholic acid
HY-78087-01	3-Methylcinnamic acid
HY-41004-01	3-Isoquinolinecarboxylic acid

Alternative Products

Catalog	Name
OR1038146	3-Ketoadipic acid
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
DAA17774-01	3,3-Dimethylpentanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
TN9211-01	3,3-Dimethylbutyric acid
426860	3,3'-Thiodipropanoic Acid
426758-01	3,3-Difluorocyclobutanecarboxylic acid
273273-01	3,3-Diphenylpropionic Acid
273265-01	3,3'-Dithiodipropionic acid
RM-H010303-01	3,3-Dibromopropenoic Acid

3-Ketoadipic acid

Chemical Information

Related Products

Alternative Products

Popular Products