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35258-88-9 | Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3,6-dimethyl- (9CI)
CAS No: 35258-88-9 Catalog No: AG00C8AD MDL No:MFCD14280278
Product Description
Catalog Number:
AG00C8AD
Chemical Name:
Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3,6-dimethyl- (9CI)
CAS Number:
35258-88-9
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
MDL Number:
MFCD14280278
IUPAC Name:
3,6-dimethyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
InChI:
InChI=1S/C7H7N3O2/c1-3-5-6(11)8-4(2)9-7(5)12-10-3/h1-2H3,(H,8,9,11)
InChI Key:
YQCPZCSHXAGWGF-UHFFFAOYSA-N
SMILES:
Cc1nc2onc(c2c(=O)[nH]1)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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