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148081-69-0 | Phenol, 4-butoxy-2,3,6-trimethyl-
CAS No: 148081-69-0 Catalog No: AG001FFE MDL No:
Product Description
Catalog Number:
AG001FFE
Chemical Name:
Phenol, 4-butoxy-2,3,6-trimethyl-
CAS Number:
148081-69-0
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
4-butoxy-2,3,6-trimethylphenol
InChI:
InChI=1S/C13H20O2/c1-5-6-7-15-12-8-9(2)13(14)11(4)10(12)3/h8,14H,5-7H2,1-4H3
InChI Key:
MYRYIFIFOOHOBP-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C)c(c(c1C)C)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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