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Oxalacetic acid

CAT: 0063-21309006-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0063-21309006-25gSize:25 g
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CAS Number
328-42-7
Molecular Formula
C4H4O5
Molecular Weight
132.07
Formulation
C4H4O5

Chemical Information

Oxaloacetic Acid

Oxaloacetic acid is an oxodicarboxylic acid that is succinic acid bearing a single oxo group. It has a role as a geroprotector and a metabolite. It is an oxo dicarboxylic acid and a C4-dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of an oxaloacetate(2-).

CAS Number328-42-7
PubChem CID970
IUPAC Name2-oxobutanedioic acid
Molecular FormulaC4H4O5
Molecular Weight132.07
XLogP-0.6
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity158
SMILES
C(C(=O)C(=O)O)C(=O)O
InChI
InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
InChIKey
KHPXUQMNIQBQEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxaloacetic Acid
CAS: 328-42-7
CID: 970
Formula: C4H4O5
MW: 132.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.07
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass132.00587322
Monoisotopic Mass132.00587322
Topological Polar Surface Area91.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity158
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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