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Substance Name: 2-Heptene-4,6-diyn-1-ol, 7-phenyl-
RN: 13641-62-8
InChIKey: ZCVJXGJSBVZTMM-FPYGCLRLSA-N

Molecular Formula

  • C13-H10-O

Molecular Weight

  • 182.221
 
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Names and Synonyms

Synonyms

  • 1-Hydroxy-7-phenylhept-2-ene-4,6-diyne
  • 7-Phenyl-2-heptene-4,6-diyn-1-ol

Systematic Name

  • 2-Heptene-4,6-diyn-1-ol, 7-phenyl-

Registry Numbers

CAS Registry Number

  • 13641-62-8

System Generated Number

  • 0013641628

Structure Descriptors

InChI

1S/C13H10O/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13/h3-4,6-8,10-11,14H,12H2/b8-3+

InChIKey

ZCVJXGJSBVZTMM-FPYGCLRLSA-N

Smiles

c1ccccc1C#CC#C\C=C\CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.48 (none)   EXP
Water Solubility 1330 mg/L 25 EST
Vapor Pressure 2.35E-06 mm Hg 25 EST
Henry's Law Constant 4.33E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.43E-10 cm3/molecule-sec 25 EST

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