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153745-69-8 | 3(2H)-Isoxazolone,5-(3-piperidinyl)-(9CI)
CAS No: 153745-69-8 Catalog No: AG00B2A2 MDL No:
Product Description
Catalog Number:
AG00B2A2
Chemical Name:
3(2H)-Isoxazolone,5-(3-piperidinyl)-(9CI)
CAS Number:
153745-69-8
IUPAC Name:
5-piperidin-3-yl-1,2-oxazol-3-one
InChI:
InChI=1S/C8H12N2O2/c11-8-4-7(12-10-8)6-2-1-3-9-5-6/h4,6,9H,1-3,5H2,(H,10,11)
InChI Key:
JBNREPDCQNWPIU-UHFFFAOYSA-N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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