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926194-51-6 | (5-methyl-4-isoxazolyl)-1-piperazinylmethanone
CAS No: 926194-51-6 Catalog No: AG00H5A7 MDL No:MFCD09040663
Product Description
Catalog Number:
AG00H5A7
Chemical Name:
(5-methyl-4-isoxazolyl)-1-piperazinylmethanone
CAS Number:
926194-51-6
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD09040663
IUPAC Name:
(5-methyl-1,2-oxazol-4-yl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C9H13N3O2/c1-7-8(6-11-14-7)9(13)12-4-2-10-3-5-12/h6,10H,2-5H2,1H3
InChI Key:
RYCFEBKTXIVOSM-UHFFFAOYSA-N
SMILES:
O=C(c1cnoc1C)N1CCNCC1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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