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Home > Other Heterocycles > 1422056-97-0
1422056-97-0 | (5S)-2-((1H-pyrazol-1-yl)methyl)-1,7-dioxa-10-azaspiro[4.6]undecane
CAS No: 1422056-97-0 Catalog No: AG01DGZD MDL No:
Product Description
Catalog Number:
AG01DGZD
Chemical Name:
(5S)-2-((1H-pyrazol-1-yl)methyl)-1,7-dioxa-10-azaspiro[4.6]undecane
CAS Number:
1422056-97-0
Molecular Formula:
C12H19N3O2
Molecular Weight:
237.2982
IUPAC Name:
(5S)-2-(pyrazol-1-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
InChI:
InChI=1S/C12H19N3O2/c1-4-14-15(6-1)8-11-2-3-12(17-11)9-13-5-7-16-10-12/h1,4,6,11,13H,2-3,5,7-10H2/t11?,12-/m0/s1
InChI Key:
GFMUGMRNQMVVGW-KIYNQFGBSA-N
SMILES:
C1CNC[C@]2(CO1)CCC(O2)Cn1cccn1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
237.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.303g/mol
Monoisotopic Mass:
237.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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