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100993-02-0 | Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-2-(2-pyridinyl)-, (1R,2R,4R)-
CAS No: 100993-02-0 Catalog No: AG0003ES MDL No:
Product Description
Catalog Number:
AG0003ES
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-2-(2-pyridinyl)-, (1R,2R,4R)-
CAS Number:
100993-02-0
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
(1R,2R,4R)-1,7,7-trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C15H21NO/c1-13(2)11-7-8-14(13,3)15(17,10-11)12-6-4-5-9-16-12/h4-6,9,11,17H,7-8,10H2,1-3H3/t11-,14-,15+/m1/s1
InChI Key:
WUPYCTDTAKFJQT-DFBGVHRSSA-N
SMILES:
CC1(C)[C@@H]2CC[C@@]1(C)[C@@](C2)(O)c1ccccn1
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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