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490-06-2,MFCD00085468
Catalog No.:AA00DZ3M

490-06-2 | 3-ISOPROPYL-6-METHYLCATECHOL

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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00DZ3M
Chemical Name:
3-ISOPROPYL-6-METHYLCATECHOL
CAS Number:
490-06-2
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00085468
SMILES:
CC(c1ccc(c(c1O)O)C)C
NSC Number:
40567
Properties
Computed Properties
 
Complexity:
145  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.7  

Literature

Title: Identification of thymol phase I metabolites in human urine by headspace sorptive extraction combined with thermal desorption and gas chromatography mass spectrometry.

Journal: Journal of pharmaceutical and biomedical analysis 20110825

Title: New diacylated 2-hydroxythymol derivatives from Melampodium divaricatum.

Journal: Zeitschrift fur Naturforschung. C, Journal of biosciences 20020101

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SDS
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