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799258-42-7 | 2-Methyl-4-(thiazol-2-ylcarbamoyl)-butyric acid
CAS No: 799258-42-7 Catalog No: AG01FO62 MDL No:
Product Description
Catalog Number:
AG01FO62
Chemical Name:
2-Methyl-4-(thiazol-2-ylcarbamoyl)-butyric acid
CAS Number:
799258-42-7
IUPAC Name:
2-methyl-5-oxo-5-(1,3-thiazol-2-ylamino)pentanoic acid
InChI:
InChI=1S/C9H12N2O3S/c1-6(8(13)14)2-3-7(12)11-9-10-4-5-15-9/h4-6H,2-3H2,1H3,(H,13,14)(H,10,11,12)
InChI Key:
OONRYWBUICKQEV-UHFFFAOYSA-N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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