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89173-72-8 | Piperidine, 4-[2-(1,1-dioxido-2-isothiazolidinyl)ethyl]-, ethanedioate(1:1)
CAS No: 89173-72-8 Catalog No: AG00638N MDL No:
Product Description
Catalog Number:
AG00638N
Chemical Name:
Piperidine, 4-[2-(1,1-dioxido-2-isothiazolidinyl)ethyl]-, ethanedioate(1:1)
CAS Number:
89173-72-8
Molecular Formula:
C12H22N2O6S
Molecular Weight:
322.3779
IUPAC Name:
oxalic acid;2-(2-piperidin-4-ylethyl)-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C10H20N2O2S.C2H2O4/c13-15(14)9-1-7-12(15)8-4-10-2-5-11-6-3-10;3-1(4)2(5)6/h10-11H,1-9H2;(H,3,4)(H,5,6)
InChI Key:
VHOZRZBRPBDDOR-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCN1CCC1CCNCC1.OC(=O)C(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.376g/mol
Monoisotopic Mass:
322.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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