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54773-21-6 | 2,4,6-Trioctylphenol
CAS No: 54773-21-6 Catalog No: AG0038NJ MDL No:
Product Description
Catalog Number:
AG0038NJ
Chemical Name:
2,4,6-Trioctylphenol
CAS Number:
54773-21-6
Molecular Formula:
C30H54O
Molecular Weight:
430.7492
IUPAC Name:
2,4,6-trioctylphenol
InChI:
InChI=1S/C30H54O/c1-4-7-10-13-16-19-22-27-25-28(23-20-17-14-11-8-5-2)30(31)29(26-27)24-21-18-15-12-9-6-3/h25-26,31H,4-24H2,1-3H3
InChI Key:
TXLUGDNIWJVCEX-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc(CCCCCCCC)c(c(c1)CCCCCCCC)O
EC Number:
259-338-4
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.417g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.761g/mol
Monoisotopic Mass:
430.417g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
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