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Substance Name: beta-Methyl-adipic acid
RN: 626-70-0
InChIKey: SYEOWUNSTUDKGM-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O4

Molecular Weight

  • 160.168
 
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Names and Synonyms

  • beta-Methyl-adipic acid

Registry Numbers

CAS Registry Number

  • 626-70-0

System Generated Number

  • 0000626700

Structure Descriptors

InChI

1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)

InChIKey

SYEOWUNSTUDKGM-UHFFFAOYSA-N

Smiles

C([C@@H](CC(O)=O)C)CC(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64 deg C   EXP
log P (octanol-water) 0.650 (none)   EST
Water Solubility 4.77E+04 mg/L 25 EST
Vapor Pressure 1.44E-04 mm Hg 25 EST
Henry's Law Constant 1.27E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.68E-12 cm3/molecule-sec 25 EST

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