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17540-76-0 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-phenylethyl)-
CAS No: 17540-76-0 Catalog No: AG0020YJ MDL No:
Product Description
Catalog Number:
AG0020YJ
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-phenylethyl)-
CAS Number:
17540-76-0
Molecular Formula:
C22H30O
Molecular Weight:
310.4730
IUPAC Name:
2,6-ditert-butyl-4-(1-phenylethyl)phenol
InChI:
InChI=1S/C22H30O/c1-15(16-11-9-8-10-12-16)17-13-18(21(2,3)4)20(23)19(14-17)22(5,6)7/h8-15,23H,1-7H3
InChI Key:
QAIIXGKSSGKVOU-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NSC Number:
321574
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.23g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.481g/mol
Monoisotopic Mass:
310.23g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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