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36508-34-6 | 2(1H)-Pyrimidinone,4-(4-isoxazolyl)-(9CI)
CAS No: 36508-34-6 Catalog No: AG00CLZ7 MDL No:
Product Description
Catalog Number:
AG00CLZ7
Chemical Name:
2(1H)-Pyrimidinone,4-(4-isoxazolyl)-(9CI)
CAS Number:
36508-34-6
IUPAC Name:
6-(1,2-oxazol-4-yl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C7H5N3O2/c11-7-8-2-1-6(10-7)5-3-9-12-4-5/h1-4H,(H,8,10,11)
InChI Key:
MALIFUQMHSFNCE-UHFFFAOYSA-N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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