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1378684-50-4 | Benzenepropanol, 2-hydroxy-γ,γ,3-trimethyl-
CAS No: 1378684-50-4 Catalog No: AG0013ZD MDL No:
Product Description
Catalog Number:
AG0013ZD
Chemical Name:
Benzenepropanol, 2-hydroxy-γ,γ,3-trimethyl-
CAS Number:
1378684-50-4
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
2-(4-hydroxy-2-methylbutan-2-yl)-6-methylphenol
InChI:
InChI=1S/C12H18O2/c1-9-5-4-6-10(11(9)14)12(2,3)7-8-13/h4-6,13-14H,7-8H2,1-3H3
InChI Key:
VZSOYYVDGFLLPK-UHFFFAOYSA-N
SMILES:
OCCC(c1cccc(c1O)C)(C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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