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Home > Pyridines > 191402-03-6
191402-03-6 | Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-2-(2-pyridinyl)-, (1R,2R,4S)-
CAS No: 191402-03-6 Catalog No: AG002F7F MDL No:
Product Description
Catalog Number:
AG002F7F
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-2-(2-pyridinyl)-, (1R,2R,4S)-
CAS Number:
191402-03-6
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C15H21NO/c1-13(2)11-7-8-14(3,10-11)15(13,17)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3/t11-,14+,15-/m0/s1
InChI Key:
OZEUZKGNVGYHPN-GLQYFDAESA-N
SMILES:
O[C@]1(c2ccccn2)[C@]2(C)CC[C@H](C1(C)C)C2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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