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38897-15-3 | 6-(1,1-Dimethylethyl)-3-isopropylisoxazolo[3,4-d]pyrimidin-4(5H)-one
CAS No: 38897-15-3 Catalog No: AG00CV4V MDL No:
Product Description
Catalog Number:
AG00CV4V
Chemical Name:
6-(1,1-Dimethylethyl)-3-isopropylisoxazolo[3,4-d]pyrimidin-4(5H)-one
CAS Number:
38897-15-3
IUPAC Name:
6-tert-butyl-3-propan-2-yl-5H-[1,2]oxazolo[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C12H17N3O2/c1-6(2)8-7-9(15-17-8)13-11(12(3,4)5)14-10(7)16/h6H,1-5H3,(H,13,14,15,16)
InChI Key:
FFNWKRYKSXEVFM-UHFFFAOYSA-N
Properties
Complexity:
357
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:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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