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Substance Name: Pisatin
RN: 469-01-2
UNII: V6L86DZ4N3
InChIKey: LZMRDTLRSDRUSU-SJORKVTESA-N

Molecular Formula

  • C17-H14-O6

Molecular Weight

  • 314.292
 
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Names and Synonyms

Results Name

  • Pisatin

Name of Substance

  • Pisatin

Synonyms

  • Pisatin
  • UNII-V6L86DZ4N3

Systematic Name

  • 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-6a(12aH)-ol, 3-methoxy-, (6aR-cis)-

Registry Numbers

CAS Registry Number

  • 469-01-2

FDA UNII

  • V6L86DZ4N3

System Generated Number

  • 0000469012

Structure Descriptors

InChI

1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1

InChIKey

LZMRDTLRSDRUSU-SJORKVTESA-N

Smiles

COc1cc2OC[C@]3(O)c4cc5OCOc5cc4O[C@H]3c2cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.58 (none)   EXP
Water Solubility 205 mg/L 25 EST
Vapor Pressure 3.61E-10 mm Hg 25 EST
Henry's Law Constant 8.21E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.54E-10 cm3/molecule-sec 25 EST

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