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Home > Other Heterocycles > 2060061-56-3
2060061-56-3 | 1-[1-(2-methylpropyl)-1H-pyrazol-4-yl]-6-oxa-2-azaspiro[3.4]octane
CAS No: 2060061-56-3 Catalog No: AG01BQFS MDL No:MFCD30501395
Product Description
Catalog Number:
AG01BQFS
Chemical Name:
1-[1-(2-methylpropyl)-1H-pyrazol-4-yl]-6-oxa-2-azaspiro[3.4]octane
CAS Number:
2060061-56-3
Molecular Formula:
C13H21N3O
Molecular Weight:
235.3253
MDL Number:
MFCD30501395
IUPAC Name:
3-[1-(2-methylpropyl)pyrazol-4-yl]-6-oxa-2-azaspiro[3.4]octane
InChI:
InChI=1S/C13H21N3O/c1-10(2)6-16-7-11(5-15-16)12-13(8-14-12)3-4-17-9-13/h5,7,10,12,14H,3-4,6,8-9H2,1-2H3
InChI Key:
LUMOQRQZPPRTAG-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1)C1NCC21COCC2)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.331g/mol
Monoisotopic Mass:
235.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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