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85305-20-0 | Phenol,2,4,6-tris[1-(methylphenyl)ethyl]- (9CI)
CAS No: 85305-20-0 Catalog No: AG004ULW MDL No:
Product Description
Catalog Number:
AG004ULW
Chemical Name:
Phenol,2,4,6-tris[1-(methylphenyl)ethyl]- (9CI)
CAS Number:
85305-20-0
Molecular Formula:
C33H36O
Molecular Weight:
448.6383
IUPAC Name:
2,4,6-tris[1-(2-methylphenyl)ethyl]phenol
InChI:
InChI=1S/C33H36O/c1-21-13-7-10-16-28(21)24(4)27-19-31(25(5)29-17-11-8-14-22(29)2)33(34)32(20-27)26(6)30-18-12-9-15-23(30)3/h7-20,24-26,34H,1-6H3
InChI Key:
ZTULFNZHLNQJQG-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(c1cc(c(c(c1)C(c1ccccc1C)C)O)C(c1ccccc1C)C)C
EC Number:
286-658-1
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.277g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
448.65g/mol
Monoisotopic Mass:
448.277g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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