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Substance Name: Tropone
RN: 539-80-0
UNII: CO48X7SUFH
InChIKey: QVWDCTQRORVHHT-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-O

Molecular Weight

  • 106.123
 
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Names and Synonyms

Name of Substance

  • Tropone

Synonyms

  • EINECS 208-725-6
  • UNII-CO48X7SUFH

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one

Registry Numbers

CAS Registry Number

  • 539-80-0

FDA UNII

  • CO48X7SUFH

System Generated Number

  • 0000539800

Structure Descriptors

InChI

1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H

InChIKey

QVWDCTQRORVHHT-UHFFFAOYSA-N

Smiles

c1(cccccc1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.00E+00 deg C   EXP
log P (octanol-water) 1.260 (none)   EST
Atmospheric OH Rate Constant 5.18E-11 cm3/molecule-sec 25 EST

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