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13145-54-5 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(diphenylmethyl)-
CAS No: 13145-54-5 Catalog No: AG000W86 MDL No:
Product Description
Catalog Number:
AG000W86
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(diphenylmethyl)-
CAS Number:
13145-54-5
Molecular Formula:
C27H32O
Molecular Weight:
372.5424
IUPAC Name:
4-benzhydryl-2,6-ditert-butylphenol
InChI:
InChI=1S/C27H32O/c1-26(2,3)22-17-21(18-23(25(22)28)27(4,5)6)24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,24,28H,1-6H3
InChI Key:
ROSVWDGOYHWTPB-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1O)C(C)(C)C)C(c1ccccc1)c1ccccc1)(C)C
UNII:
7EYA27617G
NSC Number:
81683
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.245g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.552g/mol
Monoisotopic Mass:
372.245g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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