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83673-98-7 | 2-Boc-Aminothiazole-4-carboxylic acid
CAS No: 83673-98-7 Catalog No: AG0056GM MDL No:MFCD02181057
Product Description
Catalog Number:
AG0056GM
Chemical Name:
2-Boc-Aminothiazole-4-carboxylic acid
CAS Number:
83673-98-7
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
MDL Number:
MFCD02181057
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-5(4-16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChI Key:
PIWSRJPUYPNQJE-UHFFFAOYSA-N
SMILES:
O=C(Nc1scc(n1)C(=O)O)OC(C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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