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16729-45-6 | Phenol, 2,2'-methylenebis[6-butyl-4-methyl-
CAS No: 16729-45-6 Catalog No: AG001X9C MDL No:
Product Description
Catalog Number:
AG001X9C
Chemical Name:
Phenol, 2,2'-methylenebis[6-butyl-4-methyl-
CAS Number:
16729-45-6
Molecular Formula:
C23H32O2
Molecular Weight:
340.4990
IUPAC Name:
2-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
InChI:
InChI=1S/C23H32O2/c1-5-7-9-18-11-16(3)13-20(22(18)24)15-21-14-17(4)12-19(23(21)25)10-8-6-2/h11-14,24-25H,5-10,15H2,1-4H3
InChI Key:
VWSWIUTWLQJWQH-UHFFFAOYSA-N
SMILES:
CCCCc1cc(C)cc(c1O)Cc1cc(C)cc(c1O)CCCC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.24g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.507g/mol
Monoisotopic Mass:
340.24g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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