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Substance Name: 3-Indolylacetone
RN: 1201-26-9
UNII: 0YSP0BPC6X
InChIKey: LDVHYJKRIKBISQ-UHFFFAOYSA-N

Molecular Formula

  • C11-H11-N-O

Molecular Weight

  • 173.214
 
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Names and Synonyms

Name of Substance

  • 3-Indolylacetone

Synonyms

  • 3-(2-Oxopropyl)indole
  • 3-Indolylacetone
  • EINECS 214-855-4
  • Indol-3-yl-2-propanone
  • Indole-3-acetone
  • NSC 100751
  • UNII-0YSP0BPC6X

Systematic Names

  • 1-(1H-Indol-3-yl)acetone
  • 2-Propanone, 1-(1H-indol-3-yl)- (9CI)
  • 2-Propanone, 1-indol-3-yl- (8CI)

Registry Numbers

CAS Registry Number

  • 1201-26-9

FDA UNII

  • 0YSP0BPC6X

System Generated Number

  • 0001201269

Structure Descriptors

InChI

1S/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3

InChIKey

LDVHYJKRIKBISQ-UHFFFAOYSA-N

Smiles

c1ccc2c(c[nH]c2c1)CC(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 116 deg C   EXP
log P (octanol-water) 1.530 (none)   EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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