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Substance Name: Acetonedicarboxylic acid
RN: 542-05-2
UNII: IH7P7WO21P
InChIKey: OXTNCQMOKLOUAM-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-O5

Molecular Weight

  • 146.097
 
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Names and Synonyms

Name of Substance

  • Acetonedicarboxylic acid

Synonyms

  • Acetonedicarboxylic acid
  • EC 208-797-9
  • EINECS 208-797-9
  • UNII-IH7P7WO21P

Systematic Names

  • 3-Oxoglutaric acid
  • Pentanedioic acid, 3-oxo-

Registry Numbers

CAS Registry Number

  • 542-05-2

FDA UNII

  • IH7P7WO21P

System Generated Number

  • 0000542052

Structure Descriptors

InChI

1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)

InChIKey

OXTNCQMOKLOUAM-UHFFFAOYSA-N

Smiles

O=C(O)CC(=O)CC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 138 dec deg C   EXP
log P (octanol-water) -2.310 (none)   EST
Atmospheric OH Rate Constant 2.09E-12 cm3/molecule-sec 25 EST

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