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Home > Pyridines > 115816-05-2
115816-05-2 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(3-pyridinyl)ethenyl]-
CAS No: 115816-05-2 Catalog No: AG000GX2 MDL No:
Product Description
Catalog Number:
AG000GX2
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(3-pyridinyl)ethenyl]-
CAS Number:
115816-05-2
Molecular Formula:
C21H27NO
Molecular Weight:
309.4452
IUPAC Name:
2,6-ditert-butyl-4-(2-pyridin-3-ylethenyl)phenol
InChI:
InChI=1S/C21H27NO/c1-20(2,3)17-12-16(10-9-15-8-7-11-22-14-15)13-18(19(17)23)21(4,5)6/h7-14,23H,1-6H3
InChI Key:
LMLDPXXCYIXDSG-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)C=Cc1cccnc1)C(C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.453g/mol
Monoisotopic Mass:
309.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.1
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