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17540-75-9 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-
CAS No: 17540-75-9 Catalog No: AG0020YK MDL No:MFCD00075575
Product Description
Catalog Number:
AG0020YK
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-
CAS Number:
17540-75-9
Molecular Formula:
C18H30O
Molecular Weight:
262.4302
MDL Number:
MFCD00075575
IUPAC Name:
4-butan-2-yl-2,6-ditert-butylphenol
InChI:
InChI=1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3
InChI Key:
BFZOTKYPSZSDEV-UHFFFAOYSA-N
SMILES:
CCC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C
EC Number:
241-533-0
NSC Number:
14460
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.23g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.437g/mol
Monoisotopic Mass:
262.23g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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