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Substance Name: Benzenepentanoic acid, 3-chloro-4-methoxy-delta-oxo-
RN: 71354-31-9
InChIKey: YWEZREIOCNZOSS-UHFFFAOYSA-N

Molecular Weight

  • 256.684
 
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Names and Synonyms

  • Benzenepentanoic acid, 3-chloro-4-methoxy-delta-oxo-

Registry Numbers

CAS Registry Number

  • 71354-31-9

System Generated Number

  • 0071354319

Structure Descriptors

InChI

1S/C12H13ClO4/c1-17-11-6-5-8(7-9(11)13)10(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)

InChIKey

YWEZREIOCNZOSS-UHFFFAOYSA-N

Smiles

c1(cc(c(cc1)OC)Cl)C(CCCC(=O)O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.17 (none)   EXP
Water Solubility 756 mg/L 25 EST
Vapor Pressure 1.72E-06 mm Hg 25 EST
Henry's Law Constant 5.64E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.33E-11 cm3/molecule-sec 25 EST

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