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Home > Other Heterocycles > 95259-56-6
95259-56-6 | Phenol, 2,2'-methylenebis[6-bicyclo[2.2.1]hept-2-yl-4-methyl-
CAS No: 95259-56-6 Catalog No: AG005SNG MDL No:
Product Description
Catalog Number:
AG005SNG
Chemical Name:
Phenol, 2,2'-methylenebis[6-bicyclo[2.2.1]hept-2-yl-4-methyl-
CAS Number:
95259-56-6
Molecular Formula:
C29H36O2
Molecular Weight:
416.5949
IUPAC Name:
2-(2-bicyclo[2.2.1]heptanyl)-6-[[3-(2-bicyclo[2.2.1]heptanyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenol
InChI:
InChI=1S/C29H36O2/c1-16-7-22(28(30)26(9-16)24-13-18-3-5-20(24)11-18)15-23-8-17(2)10-27(29(23)31)25-14-19-4-6-21(25)12-19/h7-10,18-21,24-25,30-31H,3-6,11-15H2,1-2H3
InChI Key:
TZQBMNJZHPWEOU-UHFFFAOYSA-N
SMILES:
Cc1cc(Cc2cc(C)cc(c2O)C2CC3CC2CC3)c(c(c1)C1CC2CC1CC2)O
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.272g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.605g/mol
Monoisotopic Mass:
416.272g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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