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921147-03-7 | Sodium 2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylate
CAS No: 921147-03-7 Catalog No: AG00H55G MDL No:MFCD18064646
Product Description
Catalog Number:
AG00H55G
Chemical Name:
Sodium 2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylate
CAS Number:
921147-03-7
Molecular Formula:
C10H13N2O2S-
Molecular Weight:
225.2874
MDL Number:
MFCD18064646
IUPAC Name:
2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C10H14N2O2S/c13-10(14)8-7-15-9(11-8)6-12-4-2-1-3-5-12/h7H,1-6H2,(H,13,14)/p-1
InChI Key:
LHXYAUFAFIOKKD-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1csc(n1)CN1CCCCC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.07g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.286g/mol
Monoisotopic Mass:
225.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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