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1152583-28-2 | 5-oxo-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
CAS No: 1152583-28-2 Catalog No: AG01A8W7 MDL No:MFCD10694889
Product Description
Catalog Number:
AG01A8W7
Chemical Name:
5-oxo-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
CAS Number:
1152583-28-2
Molecular Formula:
C12H17N3O3S
Molecular Weight:
283.3467
MDL Number:
MFCD10694889
IUPAC Name:
5-oxo-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
InChI:
InChI=1S/C12H17N3O3S/c16-10(2-1-3-11(17)18)14-5-7-15(8-6-14)12-13-4-9-19-12/h4,9H,1-3,5-8H2,(H,17,18)
InChI Key:
WBPAZXSSZUJLCV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)N1CCN(CC1)c1nccs1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.346g/mol
Monoisotopic Mass:
283.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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