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Home > Other Heterocycles > 2059936-98-8
2059936-98-8 | 1-[1-(propan-2-yl)-1H-pyrazol-4-yl]-6-oxa-2-azaspiro[3.4]octane
CAS No: 2059936-98-8 Catalog No: AG01BQFL MDL No:MFCD30501388
Product Description
Catalog Number:
AG01BQFL
Chemical Name:
1-[1-(propan-2-yl)-1H-pyrazol-4-yl]-6-oxa-2-azaspiro[3.4]octane
CAS Number:
2059936-98-8
Molecular Formula:
C12H19N3O
Molecular Weight:
221.2988
MDL Number:
MFCD30501388
IUPAC Name:
3-(1-propan-2-ylpyrazol-4-yl)-6-oxa-2-azaspiro[3.4]octane
InChI:
InChI=1S/C12H19N3O/c1-9(2)15-6-10(5-14-15)11-12(7-13-11)3-4-16-8-12/h5-6,9,11,13H,3-4,7-8H2,1-2H3
InChI Key:
UVWNYJYVUAVKHE-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)C1NCC21COCC2)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.304g/mol
Monoisotopic Mass:
221.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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