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Substance Name: Propanoic acid, 2-methyl-, 3-hydroxynonyl ester
RN: 68227-52-1
InChIKey: BKLLEFBQDROZNE-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O3

Molecular Weight

  • 230.345
 
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Names and Synonyms

Synonyms

  • 1,3-Nonanediol, 1-isobutyrate
  • 3-Hydroxynonyl isobutyrate
  • EINECS 269-364-8

Systematic Names

  • 3-Hydroxynonyl isobutyrate
  • Propanoic acid, 2-methyl-, 3-hydroxynonyl ester

Registry Numbers

CAS Registry Number

  • 68227-52-1

System Generated Number

  • 0068227521

Structure Descriptors

InChI

1S/C13H26O3/c1-4-5-6-7-8-12(14)9-10-16-13(15)11(2)3/h11-12,14H,4-10H2,1-3H3

InChIKey

BKLLEFBQDROZNE-UHFFFAOYSA-N

Smiles

O=C(OCC[C@@H](O)CCCCCC)C(C)C