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646056-04-4 | 1,7-Diazaspiro[4.4]nonane, 7-(5-isoxazolyl)-
CAS No: 646056-04-4 Catalog No: AG006SQ4 MDL No:
Product Description
Catalog Number:
AG006SQ4
Chemical Name:
1,7-Diazaspiro[4.4]nonane, 7-(5-isoxazolyl)-
CAS Number:
646056-04-4
Molecular Formula:
C10H15N3O
Molecular Weight:
193.2456
IUPAC Name:
5-(1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole
InChI:
InChI=1S/C10H15N3O/c1-3-10(11-5-1)4-7-13(8-10)9-2-6-12-14-9/h2,6,11H,1,3-5,7-8H2
InChI Key:
YMBNXPNQYNMPAK-UHFFFAOYSA-N
SMILES:
C1CNC2(C1)CCN(C2)c1ccno1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.122g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.25g/mol
Monoisotopic Mass:
193.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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