Home Carboxys 6-[(tert-butoxy)carbonyl]-4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridine-3-carboxylic acid

6-[(tert-butoxy)carbonyl]-4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridine-3-carboxylic acid

CAS No.:
1782024-67-2
Catalog Number:
AG01EKPL
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
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Product Description
Catalog Number:
AG01EKPL
Chemical Name:
6-[(tert-butoxy)carbonyl]-4H,5H,6H,7H-[1,2]oxazolo[5,4-c]pyridine-3-carboxylic acid
CAS Number:
1782024-67-2
Molecular Formula:
C12H16N2O5
Molecular Weight:
268.2658
MDL Number:
MFCD28623274
IUPAC Name:
6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H16N2O5/c1-12(2,3)18-11(17)14-5-4-7-8(6-14)19-13-9(7)10(15)16/h4-6H2,1-3H3,(H,15,16)
InChI Key:
APZZGMWUQIBWQN-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)onc2C(=O)O)OC(C)(C)C
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.106g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.269g/mol
Monoisotopic Mass:
268.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties