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101084-94-0 | 5(4H)-Isoxazolone, 3-(3-pyridinyl)-
CAS No: 101084-94-0 Catalog No: AG0003QE MDL No:MFCD21334968
Product Description
Catalog Number:
AG0003QE
Chemical Name:
5(4H)-Isoxazolone, 3-(3-pyridinyl)-
CAS Number:
101084-94-0
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD21334968
IUPAC Name:
3-pyridin-3-yl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C8H6N2O2/c11-8-4-7(10-12-8)6-2-1-3-9-5-6/h1-3,5H,4H2
InChI Key:
OGXWLRCPBZNTIY-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1)c1cccnc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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