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127-54-8 | Phenol, 4,4'-(1-methylethylidene)bis[2-(1-methylethyl)-
CAS No: 127-54-8 Catalog No: AG000WIR MDL No:
Product Description
Catalog Number:
AG000WIR
Chemical Name:
Phenol, 4,4'-(1-methylethylidene)bis[2-(1-methylethyl)-
CAS Number:
127-54-8
Molecular Formula:
C21H28O2
Molecular Weight:
312.4458
IUPAC Name:
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol
InChI:
InChI=1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3
InChI Key:
IJWIRZQYWANBMP-UHFFFAOYSA-N
SMILES:
CC(c1cc(ccc1O)C(c1ccc(c(c1)C(C)C)O)(C)C)C
NSC Number:
21526
Properties
Complexity:
340
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:
6.3
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