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Home > Other Heterocycles > 2059935-36-1
2059935-36-1 | 4-(1H-pyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
CAS No: 2059935-36-1 Catalog No: AG01BZUG MDL No:MFCD30486859
Product Description
Catalog Number:
AG01BZUG
Chemical Name:
4-(1H-pyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
CAS Number:
2059935-36-1
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
MDL Number:
MFCD30486859
IUPAC Name:
4-(1H-pyrazol-5-yl)-2-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C11H15N3O/c15-10-11(4-1-2-5-11)8(7-12-10)9-3-6-13-14-9/h3,6,8H,1-2,4-5,7H2,(H,12,15)(H,13,14)
InChI Key:
OPEPUMPDDNPLJT-UHFFFAOYSA-N
SMILES:
O=C1NCC(C21CCCC2)c1cc[nH]n1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.261g/mol
Monoisotopic Mass:
205.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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