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180415-81-0 | Phenol, 4-(1,1-dimethylbutyl)-2,6-dimethoxy-
CAS No: 180415-81-0 Catalog No: AG0021ZH MDL No:
Product Description
Catalog Number:
AG0021ZH
Chemical Name:
Phenol, 4-(1,1-dimethylbutyl)-2,6-dimethoxy-
CAS Number:
180415-81-0
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
2,6-dimethoxy-4-(2-methylpentan-2-yl)phenol
InChI:
InChI=1S/C14H22O3/c1-6-7-14(2,3)10-8-11(16-4)13(15)12(9-10)17-5/h8-9,15H,6-7H2,1-5H3
InChI Key:
MBFCYLBQNUKRKM-UHFFFAOYSA-N
SMILES:
CCCC(c1cc(OC)c(c(c1)OC)O)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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