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Home > Other Heterocycles > 1221723-01-8
1221723-01-8 | 2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione hydrochloride
CAS No: 1221723-01-8 Catalog No: AG01A7TF MDL No:MFCD14705817
Product Description
Catalog Number:
AG01A7TF
Chemical Name:
2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione hydrochloride
CAS Number:
1221723-01-8
Molecular Formula:
C11H14ClN3O2
Molecular Weight:
255.7008
MDL Number:
MFCD14705817
IUPAC Name:
2-(1H-pyrazol-4-yl)-2-azaspiro[4.4]nonane-1,3-dione;hydrochloride
InChI:
InChI=1S/C11H13N3O2.ClH/c15-9-5-11(3-1-2-4-11)10(16)14(9)8-6-12-13-7-8;/h6-7H,1-5H2,(H,12,13);1H
InChI Key:
DJIVBBMMCFSYCL-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(=O)N1c1cn[nH]c1)CCCC2.Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.702g/mol
Monoisotopic Mass:
255.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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