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Substance Name: 2-Ketopentanoic acid
RN: 1821-02-9
UNII: 01I0OE93A7
InChIKey: KDVFRMMRZOCFLS-UHFFFAOYSA-N

Molecular Formula

  • C5-H8-O3

Molecular Weight

  • 116.115
 
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Names and Synonyms

Name of Substance

  • 2-Ketopentanoic acid

Synonyms

  • EINECS 217-340-2
  • UNII-01I0OE93A7

Systematic Names

  • 2-Oxopentanoic acid
  • 2-Oxovaleric acid

Registry Numbers

CAS Registry Number

  • 1821-02-9

FDA UNII

  • 01I0OE93A7

Related Registry Number

  • 13022-83-8 (hydrochloride salt)

System Generated Number

  • 0001821029

Structure Descriptors

InChI

1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)

InChIKey

KDVFRMMRZOCFLS-UHFFFAOYSA-N

Smiles

C(C(=O)CCC)(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 6.5 deg C   EXP
Boiling Point 179 deg C   EXP
log P (octanol-water) -0.260 (none)   EST
Atmospheric OH Rate Constant 5.19E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.