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Home Other Building Blocks 3-ISOPROPYL-6-METHYLCATECHOL

3-ISOPROPYL-6-METHYLCATECHOL

CAS No.:
490-06-2
Catalog Number:
AG00DZ6E
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
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Product Description
Catalog Number:
AG00DZ6E
Chemical Name:
3-ISOPROPYL-6-METHYLCATECHOL
CAS Number:
490-06-2
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00085468
IUPAC Name:
3-methyl-6-propan-2-ylbenzene-1,2-diol
InChI:
InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,11-12H,1-3H3
InChI Key:
LYUBXLHGANLIMX-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1O)O)C)C
UNII:
93XFQ715UL
NSC Number:
40567
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Identification of thymol phase I metabolites in human urine by headspace sorptive extraction combined with thermal desorption and gas chromatography mass spectrometry. Journal of pharmaceutical and biomedical analysis 20110825
New diacylated 2-hydroxythymol derivatives from Melampodium divaricatum. Zeitschrift fur Naturforschung. C, Journal of biosciences 20020101
Properties