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Home > Pyridines > 1422141-29-4
1422141-29-4 | (4aS,7S,7aR)-7-(pyridin-3-ylmethoxy)octahydrocyclopenta[b][1,4]oxazine
CAS No: 1422141-29-4 Catalog No: AG01DKIY MDL No:
Product Description
Catalog Number:
AG01DKIY
Chemical Name:
(4aS,7S,7aR)-7-(pyridin-3-ylmethoxy)octahydrocyclopenta[b][1,4]oxazine
CAS Number:
1422141-29-4
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
(4aS,7S,7aR)-7-(pyridin-3-ylmethoxy)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
InChI:
InChI=1S/C13H18N2O2/c1-2-10(8-14-5-1)9-17-12-4-3-11-13(12)16-7-6-15-11/h1-2,5,8,11-13,15H,3-4,6-7,9H2/t11-,12-,13+/m0/s1
InChI Key:
XVASXYMEOKXDKT-RWMBFGLXSA-N
SMILES:
C1CN[C@@H]2[C@@H](O1)[C@H](CC2)OCc1cccnc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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