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113436-82-1 | 1,2-Benzenediol, 4-methoxy-3,6-bis(1,1,3,3-tetramethylbutyl)-
CAS No: 113436-82-1 Catalog No: AG0008KT MDL No:
Product Description
Catalog Number:
AG0008KT
Chemical Name:
1,2-Benzenediol, 4-methoxy-3,6-bis(1,1,3,3-tetramethylbutyl)-
CAS Number:
113436-82-1
Molecular Formula:
C23H40O3
Molecular Weight:
364.5619
IUPAC Name:
4-methoxy-3,6-bis(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
InChI:
InChI=1S/C23H40O3/c1-20(2,3)13-22(7,8)15-12-16(26-11)17(19(25)18(15)24)23(9,10)14-21(4,5)6/h12,24-25H,13-14H2,1-11H3
InChI Key:
RZOFDFZXEVEVMJ-UHFFFAOYSA-N
SMILES:
COc1cc(c(c(c1C(CC(C)(C)C)(C)C)O)O)C(CC(C)(C)C)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.298g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.57g/mol
Monoisotopic Mass:
364.298g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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