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1260655-07-9 | Isoxazolo[5,4-c]pyridine-3,6(5H)-dicarboxylic acid, 4,7-dihydro-, 6-(1,1-dimethylethyl) 3-methyl ester
CAS No: 1260655-07-9 Catalog No: AG000QZB MDL No:
Product Description
Catalog Number:
AG000QZB
Chemical Name:
Isoxazolo[5,4-c]pyridine-3,6(5H)-dicarboxylic acid, 4,7-dihydro-, 6-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
1260655-07-9
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
IUPAC Name:
6-O-tert-butyl 3-O-methyl 5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-3,6-dicarboxylate
InChI:
InChI=1S/C13H18N2O5/c1-13(2,3)19-12(17)15-6-5-8-9(7-15)20-14-10(8)11(16)18-4/h5-7H2,1-4H3
InChI Key:
FSZJTSKUQGWVLA-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc2c1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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