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35260-91-4 | 6-tert-Butyl-3-propylisoxazolo[5,4-d]pyrimidin-4(5H)-one
CAS No: 35260-91-4 Catalog No: AG00D22T MDL No:
Product Description
Catalog Number:
AG00D22T
Chemical Name:
6-tert-Butyl-3-propylisoxazolo[5,4-d]pyrimidin-4(5H)-one
CAS Number:
35260-91-4
IUPAC Name:
6-tert-butyl-3-propyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
InChI:
InChI=1S/C12H17N3O2/c1-5-6-7-8-9(16)13-11(12(2,3)4)14-10(8)17-15-7/h5-6H2,1-4H3,(H,13,14,16)
InChI Key:
IBTRPAAUDUTAEI-UHFFFAOYSA-N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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