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4,5-Dioxovaleric Acid

CAT: 1596-AR-V01057-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01057-06Size:250 Units
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CAS Number
5976-90-9
Synonyms
4,5-dioxopentanoic acid; 4,5-Dioxopentanoic Acid; ?, ?-Dioxovaleric acid; 4-Oxoglutaraldehydic Acid
Molecular Formula
C5H6O4
Molecular Weight
130.1
API Name
Valeric Acid

Chemical Information

4,5-Dioxopentanoic acid

4,5-dioxopentanoic acid is a dioxo monocarboxylic acid consisting of a valeric acid core with the two oxo groups at the 4- and 5-positions. It is functionally related to a valeric acid. It is a conjugate acid of a 4,5-dioxopentanoate.

CAS Number5976-90-9
PubChem CID119412
IUPAC Name4,5-dioxopentanoic acid
Molecular FormulaC5H6O4
Molecular Weight130.10
XLogP-1
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity138
SMILES
C(CC(=O)O)C(=O)C=O
InChI
InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)
InChIKey
YHUFRVYVNKGICT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dioxopentanoic acid
CAS: 5976-90-9
CID: 119412
Formula: C5H6O4
MW: 130.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.10
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass130.02660867
Monoisotopic Mass130.02660867
Topological Polar Surface Area71.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity138
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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