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1263283-70-0 | 3-Isoxazolecarboxylic acid, 5-[3-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-
CAS No: 1263283-70-0 Catalog No: AG000SMO MDL No:MFCD17011761
Product Description
Catalog Number:
AG000SMO
Chemical Name:
3-Isoxazolecarboxylic acid, 5-[3-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-
CAS Number:
1263283-70-0
Molecular Formula:
C15H16N2O5
Molecular Weight:
304.2979
MDL Number:
MFCD17011761
IUPAC Name:
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C15H16N2O5/c1-15(2,3)21-14(20)16-10-6-4-5-9(7-10)12-8-11(13(18)19)17-22-12/h4-8H,1-3H3,(H,16,20)(H,18,19)
InChI Key:
WZZBZIHTTQNVAO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccc(c1)c1onc(c1)C(=O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.302g/mol
Monoisotopic Mass:
304.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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