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117332-02-2 | [1,1':3',1''-Terphenyl]-2'-ol, 5'-[(dimethylamino)methyl]- (9CI)
CAS No: 117332-02-2 Catalog No: AG000E4Z MDL No:
Product Description
Catalog Number:
AG000E4Z
Chemical Name:
[1,1':3',1''-Terphenyl]-2'-ol, 5'-[(dimethylamino)methyl]- (9CI)
CAS Number:
117332-02-2
Molecular Formula:
C21H21NO
Molecular Weight:
303.3975
IUPAC Name:
4-[(dimethylamino)methyl]-2,6-diphenylphenol
InChI:
InChI=1S/C21H21NO/c1-22(2)15-16-13-19(17-9-5-3-6-10-17)21(23)20(14-16)18-11-7-4-8-12-18/h3-14,23H,15H2,1-2H3
InChI Key:
RXXGPXQJRRGRJP-UHFFFAOYSA-N
SMILES:
CN(Cc1cc(c2ccccc2)c(c(c1)c1ccccc1)O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.162g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.405g/mol
Monoisotopic Mass:
303.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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