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Home > Pyridines > 175602-48-9
175602-48-9 | Pyridine, 2-[2,4-bis(1,1-dimethylethyl)-6-methoxyphenyl]-3-methyl-
CAS No: 175602-48-9 Catalog No: AG00212L MDL No:
Product Description
Catalog Number:
AG00212L
Chemical Name:
Pyridine, 2-[2,4-bis(1,1-dimethylethyl)-6-methoxyphenyl]-3-methyl-
CAS Number:
175602-48-9
Molecular Formula:
C21H29NO
Molecular Weight:
311.4611
IUPAC Name:
2-(2,4-ditert-butyl-6-methoxyphenyl)-3-methylpyridine
InChI:
InChI=1S/C21H29NO/c1-14-10-9-11-22-19(14)18-16(21(5,6)7)12-15(20(2,3)4)13-17(18)23-8/h9-13H,1-8H3
InChI Key:
LZMHVVVOBPUYAF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1c1ncccc1C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
378
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:
0
Isotope Atom Count:
0
Molecular Weight:
311.469g/mol
Monoisotopic Mass:
311.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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