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Fumaric Acid extrapure AR, ExiPlus, Multi-Compendial, 99%

CAT: 0565-97328-01Size: 500 gDry Ice: NoHazardous: No
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Description
Part A
CAS Number
110-17-8
Storage Temperature
Room Temperature

Chemical Information

Fumaric Acid

Fumaric acid is a butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. It has a role as a geroprotector, a food acidity regulator and a fundamental metabolite. It is a conjugate acid of a fumarate(1-).

CAS Number110-17-8
PubChem CID444972
IUPAC Name(E)-but-2-enedioic acid
Molecular FormulaC4H4O4
Molecular Weight116.07
XLogP-0.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity119
SMILES
C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKey
VZCYOOQTPOCHFL-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of Fumaric Acid
CAS: 110-17-8
CID: 444972
Formula: C4H4O4
MW: 116.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.07
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass116.01095860
Monoisotopic Mass116.01095860
Topological Polar Surface Area74.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity119
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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