2,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol]

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Catalog Number
ACM77623-1
Product Name
2,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol]
Structure
Structure
CAS
77-62-3
Category
Heterocyclic Organic Compound
Synonyms
2,2'-Methylenebis(6-(1-methylcyclohexyl)-p-cresol)
IUPAC Name
2-[[2-Hydroxy-5-methyl-3-(1-methylcyclohexyl)phenyl]methyl]-4-methyl-6-(1-methylcyclohexyl)phenol
Molecular Weight
420.6
Molecular Formula
C29H40O2
Canonical SMILES
CC1=CC(=C(C(=C1)C2(CCCCC2)C)O)CC3=C(C(=CC(=C3)C)C4(CCCCC4)C)O
InChI
InChI=1S/C29H40O2/c1-20-15-22(26(30)24(17-20)28(3)11-7-5-8-12-28)19-23-16-21(2)18-25(27(23)31)29(4)13-9-6-10-14-29/h15-18,30-31H,5-14,19H2,1-4H3
InChI Key
PHXLONCQBNATSL-UHFFFAOYSA-N
Boiling Point
526.9±50.0 °C
Melting Point
135 °C
Density
1.058±0.06 g/cm3
Complexity
523
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
201-044-5
Exact Mass
420.302830514
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
31
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
420.302830514
Physical State
Solid
Rotatable Bond Count
4
Topological Polar Surface Area
40.5 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
7TIR91VDI9
XLogP3
10
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