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848154-39-2 | 2(3H)-Benzoxazolone, 7-(4-methyl-4-oxido-1-piperazinyl)-
CAS No: 848154-39-2 Catalog No: AG004X3F MDL No:
Product Description
Catalog Number:
AG004X3F
Chemical Name:
2(3H)-Benzoxazolone, 7-(4-methyl-4-oxido-1-piperazinyl)-
CAS Number:
848154-39-2
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
IUPAC Name:
7-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C12H15N3O3/c1-15(17)7-5-14(6-8-15)10-4-2-3-9-11(10)18-12(16)13-9/h2-4H,5-8H2,1H3,(H,13,16)
InChI Key:
FDNXYWVJFKZRSC-UHFFFAOYSA-N
SMILES:
O=c1oc2c([nH]1)cccc2N1CC[N+](CC1)([O-])C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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