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30345-98-3 | 5H-Oxazolo[3,2-c]pyrimidine-5,7(6H)-dione, 2,3-dihydro-2-methyl-8-phenyl-
CAS No: 30345-98-3 Catalog No: AG002ZTT MDL No:
Product Description
Catalog Number:
AG002ZTT
Chemical Name:
5H-Oxazolo[3,2-c]pyrimidine-5,7(6H)-dione, 2,3-dihydro-2-methyl-8-phenyl-
CAS Number:
30345-98-3
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
2-methyl-8-phenyl-2,3-dihydro-[1,3]oxazolo[3,2-c]pyrimidine-5,7-dione
InChI:
InChI=1S/C13H12N2O3/c1-8-7-15-12(18-8)10(11(16)14-13(15)17)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16,17)
InChI Key:
PJIVGCHPSLPUIT-UHFFFAOYSA-N
SMILES:
CC1Cn2c(O1)c(c1ccccc1)c(=O)[nH]c2=O
NSC Number:
280800
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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