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Substance Name: 4-Methylhexanoic acid
RN: 1561-11-1
UNII: E1R4C4A1NO
InChIKey: DIVCBWJKVSFZKJ-UHFFFAOYSA-N

Note

  • Has been identified in the urine of children with medium-chain acyl-CoA dehydrogenase (MCAD) deficiency.

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • 4-Methylhexanoic acid

Synonyms

  • 4-Methylhexanoic acid
  • EINECS 216-336-8
  • Hexanoic acid, 4-methyl-
  • NSC 249817
  • UNII-E1R4C4A1NO

Systematic Names

  • 4-Methylhexanoic acid
  • Hexanoic acid, 4-methyl-

Registry Numbers

CAS Registry Number

  • 1561-11-1

FDA UNII

  • E1R4C4A1NO

Other Registry Number

  • 22160-41-4

System Generated Number

  • 0001561111

Structure Descriptors

InChI

1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChIKey

DIVCBWJKVSFZKJ-UHFFFAOYSA-N

Smiles

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