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Home > Other Heterocycles > 2059941-24-9
2059941-24-9 | 8-(1H-pyrazol-3-yl)-6-azaspiro[3.4]octan-5-one
CAS No: 2059941-24-9 Catalog No: AG01BZU8 MDL No:MFCD30486850
Product Description
Catalog Number:
AG01BZU8
Chemical Name:
8-(1H-pyrazol-3-yl)-6-azaspiro[3.4]octan-5-one
CAS Number:
2059941-24-9
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
MDL Number:
MFCD30486850
IUPAC Name:
8-(1H-pyrazol-5-yl)-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C10H13N3O/c14-9-10(3-1-4-10)7(6-11-9)8-2-5-12-13-8/h2,5,7H,1,3-4,6H2,(H,11,14)(H,12,13)
InChI Key:
RMQHOEFGVNKJFD-UHFFFAOYSA-N
SMILES:
O=C1NCC(C21CCC2)c1cc[nH]n1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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