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296242-04-1 | Phenol, 2,6-dimethoxy-4-(1,1,5-trimethylhexyl)-
CAS No: 296242-04-1 Catalog No: AG002YXH MDL No:
Product Description
Catalog Number:
AG002YXH
Chemical Name:
Phenol, 2,6-dimethoxy-4-(1,1,5-trimethylhexyl)-
CAS Number:
296242-04-1
Molecular Formula:
C17H28O3
Molecular Weight:
280.4024
IUPAC Name:
4-(2,6-dimethylheptan-2-yl)-2,6-dimethoxyphenol
InChI:
InChI=1S/C17H28O3/c1-12(2)8-7-9-17(3,4)13-10-14(19-5)16(18)15(11-13)20-6/h10-12,18H,7-9H2,1-6H3
InChI Key:
ZKUVEQUQNACFBF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)OC)C(CCCC(C)C)(C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.408g/mol
Monoisotopic Mass:
280.204g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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