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Home > Pyridines > 144426-56-2
144426-56-2 | Phenol, 2,6-dipentyl-4-(4-pyridinyl)-
CAS No: 144426-56-2 Catalog No: AG001JIK MDL No:
Product Description
Catalog Number:
AG001JIK
Chemical Name:
Phenol, 2,6-dipentyl-4-(4-pyridinyl)-
CAS Number:
144426-56-2
Molecular Formula:
C21H29NO
Molecular Weight:
311.4611
IUPAC Name:
2,6-dipentyl-4-pyridin-4-ylphenol
InChI:
InChI=1S/C21H29NO/c1-3-5-7-9-18-15-20(17-11-13-22-14-12-17)16-19(21(18)23)10-8-6-4-2/h11-16,23H,3-10H2,1-2H3
InChI Key:
ZIXKUQKOTBCQRO-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(cc(c1O)CCCCC)c1ccncc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.225g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.469g/mol
Monoisotopic Mass:
311.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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