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Home > Other Heterocycles > 2059966-73-1
2059966-73-1 | 4-(1-methyl-1H-pyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
CAS No: 2059966-73-1 Catalog No: AG01BZUI MDL No:MFCD30486861
Product Description
Catalog Number:
AG01BZUI
Chemical Name:
4-(1-methyl-1H-pyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
CAS Number:
2059966-73-1
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD30486861
IUPAC Name:
4-(1-methylpyrazol-3-yl)-2-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C12H17N3O/c1-15-7-4-10(14-15)9-8-13-11(16)12(9)5-2-3-6-12/h4,7,9H,2-3,5-6,8H2,1H3,(H,13,16)
InChI Key:
VUWQEEIJKWJIDO-UHFFFAOYSA-N
SMILES:
O=C1NCC(C21CCCC2)c1ccn(n1)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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