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Substance Name: CV 6504
RN: 117574-40-0
InChIKey: IPGAFOVEIIWXFR-UHFFFAOYSA-N

Molecular Formula

  • C15-H15-N-O2

Molecular Weight

  • 241.2885
 
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Names and Synonyms

Name of Substance

  • CV 6504

Synonyms

  • 2,3,5-Trimethyl-6-(3-pyridylmethyl)-1,4-benzoquinone
  • CV-6504

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(3-pyridinylmethyl)-

Registry Numbers

CAS Registry Number

  • 117574-40-0

System Generated Number

  • 0117574400

Structure Descriptors

InChI

1S/C15H15NO2/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12/h4-6,8H,7H2,1-3H3

InChIKey

IPGAFOVEIIWXFR-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(=C(C1=O)C)Cc2cccnc2)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.55 (none)   EXP
Water Solubility 3500 mg/L 25 EST
Vapor Pressure 1.50E-06 mm Hg 25 EST
Henry's Law Constant 7.77E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.92E-11 cm3/molecule-sec 25 EST

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