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Substance Name: 3-Methyladipic acid
RN: 3058-01-3
InChIKey: SYEOWUNSTUDKGM-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O4

Molecular Weight

  • 160.168
 
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Names and Synonyms

Name of Substance

  • 3-Methyladipic acid

Synonyms

  • 3-Methyladipic acid
  • EINECS 221-293-3
  • NSC 22069

Systematic Names

  • 3-Methyladipic acid
  • Hexanedioic acid, 3-methyl- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 3058-01-3

System Generated Number

  • 0003058013

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 101 deg C   EXP
log P (octanol-water) 0.650 (none)   EST
Water Solubility 2.48E+05 mg/L 26 EXP
Atmospheric OH Rate Constant 7.28E-12 cm3/molecule-sec 25 EST

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