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Substance Name: Trinexapac [ISO]
RN: 104273-73-6
InChIKey: DFFWZNDCNBOKDI-KTKRTIGZSA-N

Molecular Formula

  • C11-H12-O5

Molecular Weight

  • 224.2108
 
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Names and Synonyms

Name of Substance

  • Trinexapac [ISO]

Synonym

  • Trinexapac

Registry Numbers

CAS Registry Number

  • 104273-73-6

System Generated Number

  • 0104273736

Structure Descriptors

InChI

1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16)/b10-9-

InChIKey

DFFWZNDCNBOKDI-KTKRTIGZSA-N

Smiles

C1(=O)CC(CC(=O)C\1=C(/O)C1CC1)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 144.4 deg C   EXP
Boiling Point 220 deg C   EXP
pKa Dissociation Constant 5.32 (none)   EXP
log P (octanol-water) 1.8 (none)   EXP
Water Solubility 1300 mg/L 20 EXP
Vapor Pressure 1.73E-08 mm Hg 25 EXP
Henry's Law Constant 2.53E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.73E-11 cm3/molecule-sec 25 EST

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