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30766-31-5 | 3-Pyridinol, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 30766-31-5 Catalog No: AG00318J MDL No:
Product Description
Catalog Number:
AG00318J
Chemical Name:
3-Pyridinol, 2-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
30766-31-5
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
2-(4-tert-butylphenyl)pyridin-3-ol
InChI:
InChI=1S/C15H17NO/c1-15(2,3)12-8-6-11(7-9-12)14-13(17)5-4-10-16-14/h4-10,17H,1-3H3
InChI Key:
FMFKAHUTDXGBDD-UHFFFAOYSA-N
SMILES:
Oc1cccnc1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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