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148780-13-6 | Phenol, 2,6-bis[(hydroxymethylphenyl)methyl]-4-methyl- (9CI)
CAS No: 148780-13-6 Catalog No: AG001L79 MDL No:
Product Description
Catalog Number:
AG001L79
Chemical Name:
Phenol, 2,6-bis[(hydroxymethylphenyl)methyl]-4-methyl- (9CI)
CAS Number:
148780-13-6
Molecular Formula:
C23H24O3
Molecular Weight:
348.4349
IUPAC Name:
2,6-bis[[2-(hydroxymethyl)phenyl]methyl]-4-methylphenol
InChI:
InChI=1S/C23H24O3/c1-16-10-21(12-17-6-2-4-8-19(17)14-24)23(26)22(11-16)13-18-7-3-5-9-20(18)15-25/h2-11,24-26H,12-15H2,1H3
InChI Key:
NIJBDTDSXZFRDW-UHFFFAOYSA-N
SMILES:
OCc1ccccc1Cc1cc(C)cc(c1O)Cc1ccccc1CO
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
348.442g/mol
Monoisotopic Mass:
348.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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