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180403-13-8 | 5-Thiazolecarboxylic acid, 2-(1-piperidinyl)-
CAS No: 180403-13-8 Catalog No: AG0021YL MDL No:MFCD11506352
Product Description
Catalog Number:
AG0021YL
Chemical Name:
5-Thiazolecarboxylic acid, 2-(1-piperidinyl)-
CAS Number:
180403-13-8
Molecular Formula:
C9H12N2O2S
Molecular Weight:
212.2688
MDL Number:
MFCD11506352
IUPAC Name:
2-piperidin-1-yl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C9H12N2O2S/c12-8(13)7-6-10-9(14-7)11-4-2-1-3-5-11/h6H,1-5H2,(H,12,13)
InChI Key:
JIYHGZWZWANYAV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(s1)N1CCCCC1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.267g/mol
Monoisotopic Mass:
212.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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