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85118-32-7 | ETHYL 3,4,5,7-TETRAHYDRO-3-OXOISOXAZOLO[5,4-C]PYRIDINE-6(2H)-CARBOXYLATE
CAS No: 85118-32-7 Catalog No: AG004O4I MDL No:
Product Description
Catalog Number:
AG004O4I
Chemical Name:
ETHYL 3,4,5,7-TETRAHYDRO-3-OXOISOXAZOLO[5,4-C]PYRIDINE-6(2H)-CARBOXYLATE
CAS Number:
85118-32-7
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
ethyl 3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
InChI:
InChI=1S/C9H12N2O4/c1-2-14-9(13)11-4-3-6-7(5-11)15-10-8(6)12/h2-5H2,1H3,(H,10,12)
InChI Key:
VCEIKKVLKZUXGH-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCc2c(C1)o[nH]c2=O
EC Number:
285-686-1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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