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1422068-47-0 | 7-((pyridin-3-ylmethoxy)methyl)octahydrocyclopenta[b][1,4]oxazine
CAS No: 1422068-47-0 Catalog No: AG01DHKV MDL No:
Product Description
Catalog Number:
AG01DHKV
Chemical Name:
7-((pyridin-3-ylmethoxy)methyl)octahydrocyclopenta[b][1,4]oxazine
CAS Number:
1422068-47-0
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
7-(pyridin-3-ylmethoxymethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
InChI:
InChI=1S/C14H20N2O2/c1-2-11(8-15-5-1)9-17-10-12-3-4-13-14(12)18-7-6-16-13/h1-2,5,8,12-14,16H,3-4,6-7,9-10H2
InChI Key:
MSMJEAVQQBLCMH-UHFFFAOYSA-N
SMILES:
C1CNC2C(O1)C(COCc1cccnc1)CC2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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