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72309-75-2 | 3(2H)-Isoxazolone,5-(3-pyridinyl)-(9CI)
CAS No: 72309-75-2 Catalog No: AG00FVI2 MDL No:
Product Description
Catalog Number:
AG00FVI2
Chemical Name:
3(2H)-Isoxazolone,5-(3-pyridinyl)-(9CI)
CAS Number:
72309-75-2
IUPAC Name:
5-pyridin-3-yl-1,2-oxazol-3-one
InChI:
InChI=1S/C8H6N2O2/c11-8-4-7(12-10-8)6-2-1-3-9-5-6/h1-5H,(H,10,11)
InChI Key:
MUUPDSVOQGYPQG-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:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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