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35053-73-7 | 5-methyl-3-phenyl-7,7a-dihydro[1,2]oxazolo[5,4-d]pyrimidine-4,6(3ah,5h)-dione
CAS No: 35053-73-7 Catalog No: AG007GE1 MDL No:
Product Description
Catalog Number:
AG007GE1
Chemical Name:
5-methyl-3-phenyl-7,7a-dihydro[1,2]oxazolo[5,4-d]pyrimidine-4,6(3ah,5h)-dione
CAS Number:
35053-73-7
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
5-methyl-3-phenyl-7,7a-dihydro-3aH-[1,2]oxazolo[5,4-d]pyrimidine-4,6-dione
InChI:
InChI=1S/C12H11N3O3/c1-15-11(16)8-9(7-5-3-2-4-6-7)14-18-10(8)13-12(15)17/h2-6,8,10H,1H3,(H,13,17)
InChI Key:
QQLJDTDSFGWZDK-UHFFFAOYSA-N
SMILES:
CN1C(=O)NC2C(C1=O)C(=NO2)c1ccccc1
NSC Number:
156119
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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