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Citraconic acid 5g

CAT: 0628-A18614-5000Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0628-A18614-5000Size:5000 mg
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CAS Number
498-23-7

Chemical Information

Citraconic acid

Citraconic acid is a dicarboxylic acid consisting of maleic acid having a methyl substituent at the 2-position. It has a role as a human metabolite. It is a dicarboxylic fatty acid and a dicarboxylic acid. It is functionally related to a maleic acid. It is a conjugate acid of a citraconate(2-).

CAS Number498-23-7
PubChem CID643798
IUPAC Name(Z)-2-methylbut-2-enedioic acid
Molecular FormulaC5H6O4
Molecular Weight130.10
XLogP-0.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity168
SMILES
C/C(=C/C(=O)O)/C(=O)O
InChI
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKey
HNEGQIOMVPPMNR-IHWYPQMZSA-N
Chemical Structure
2D Structure
2D structure of Citraconic acid
CAS: 498-23-7
CID: 643798
Formula: C5H6O4
MW: 130.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.10
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass130.02660867
Monoisotopic Mass130.02660867
Topological Polar Surface Area74.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C6726-1000Citraconic acid
TN6957Citraconic acid anhydride
HY-113298R-01Citraconic acid (Standard)
OR937568-01Citraconic acid dimethyl ester
OR5508-01Citraconic anhydride

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