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Home > Other Heterocycles > 2044838-01-7
2044838-01-7 | 3-[1-(propan-2-yl)-1H-pyrazol-4-yl]-7-oxa-2-azaspiro[3.5]nonan-1-one
CAS No: 2044838-01-7 Catalog No: AG01BXG8 MDL No:MFCD30487508
Product Description
Catalog Number:
AG01BXG8
Chemical Name:
3-[1-(propan-2-yl)-1H-pyrazol-4-yl]-7-oxa-2-azaspiro[3.5]nonan-1-one
CAS Number:
2044838-01-7
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
MDL Number:
MFCD30487508
IUPAC Name:
1-(1-propan-2-ylpyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonan-3-one
InChI:
InChI=1S/C13H19N3O2/c1-9(2)16-8-10(7-14-16)11-13(12(17)15-11)3-5-18-6-4-13/h7-9,11H,3-6H2,1-2H3,(H,15,17)
InChI Key:
AVMZNOXAKCCQPB-UHFFFAOYSA-N
SMILES:
O=C1NC(C21CCOCC2)c1cnn(c1)C(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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