Products for Research Use Only
RegisterLogin

Trans-trans-Muconic acid

CAT: 0957-S6168-25mgSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0957-S6168-25mgSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3588-17-8
Target
Others
Applications
Others
Smiles
C (=CC (=O) O) C=CC (=O) O
Molecular Formula
C6H6O4
Additionnal Information
Trans-trans-Muconic acid is a metabolite of benzene in humans.
Storage Conditions
3 years -20°C powder

Chemical Information

Muconic Acid

Muconic acid is a hexadienedioic acid with unsaturation at positions 2 and 4. It has a role as a human xenobiotic metabolite. It is a dicarboxylic fatty acid and a hexadienedioic acid. It is a conjugate acid of a 5-carboxypenta-2,4-dienoate.

CAS Number3588-17-8
PubChem CID5356793
IUPAC Name(2E,4E)-hexa-2,4-dienedioic acid
Molecular FormulaC6H6O4
Molecular Weight142.11
XLogP0.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity168
SMILES
C(=C/C(=O)O)\C=C\C(=O)O
InChI
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
InChIKey
TXXHDPDFNKHHGW-ZPUQHVIOSA-N
Chemical Structure
2D Structure
2D structure of Muconic Acid
CAS: 3588-17-8
CID: 5356793
Formula: C6H6O4
MW: 142.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.11
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass142.02660867
Monoisotopic Mass142.02660867
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
S6092-25mgCis, cis-Muconic acid
S6092-01Cis, cis-Muconic acid
S6171-01Trans-β-Hydromuconic acid
S3090-01Trans-Aconitic acid
E0653-500mgTrans-ferulic acid
E0653Trans-ferulic acid
E0653-100mgTrans-ferulic acid
S3090-100mgTrans-Aconitic acid
S6171-25mgTrans-β-Hydromuconic acid
S6105-25mgTrans-3-Indoleacrylic acid

Alternative Products

CatalogName
017901Trans, trans-Muconic Acid
GTR19157345-01Trans-trans-Muconic acid
B7915-500trans-trans Muconic acid
TRC-M791001-10Gtrans,trans-Muconic Acid
sc-220318Trans, trans-Muconic Acid-d4
M32645-01Trans, trans-Muconic acid 98%
A18669-200Trans-trans-Muconic acid 200mg
M791007trans,trans-Muconic-d4 Acid
TRC-M791000-5MGtrans,trans-Muconic Acid-d4
TRC-M791002-10MGtrans,trans-Muconic Acid-13C6

Popular Products