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122419-17-4 | Phenol, 4,4'-(1-methylbutylidene)bis[2,6-dimethyl-
CAS No: 122419-17-4 Catalog No: AG001777 MDL No:MFCD00068240
Product Description
Catalog Number:
AG001777
Chemical Name:
Phenol, 4,4'-(1-methylbutylidene)bis[2,6-dimethyl-
CAS Number:
122419-17-4
Molecular Formula:
C21H28O2
Molecular Weight:
312.4458
MDL Number:
MFCD00068240
IUPAC Name:
4-[2-(4-hydroxy-3,5-dimethylphenyl)pentan-2-yl]-2,6-dimethylphenol
InChI:
InChI=1S/C21H28O2/c1-7-8-21(6,17-9-13(2)19(22)14(3)10-17)18-11-15(4)20(23)16(5)12-18/h9-12,22-23H,7-8H2,1-6H3
InChI Key:
VODSLDFWGKAUAY-UHFFFAOYSA-N
SMILES:
CCCC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.453g/mol
Monoisotopic Mass:
312.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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