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138742-18-4 | 3-Isoxazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS No: 138742-18-4 Catalog No: AG0019G0 MDL No:MFCD25542374
Product Description
Catalog Number:
AG0019G0
Chemical Name:
3-Isoxazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS Number:
138742-18-4
Molecular Formula:
C11H16N2O5
Molecular Weight:
256.2551
MDL Number:
MFCD25542374
IUPAC Name:
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C11H16N2O5/c1-5-16-9(14)7-6-8(18-13-7)12-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,12,15)
InChI Key:
GFVJYQALSMLKHV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.258g/mol
Monoisotopic Mass:
256.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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