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1013025-84-7 | 1,4-Piperidinedicarboxylic acid, 4-[(chlorosulfonyl)methyl]-, 1,4-dimethyl ester
CAS No: 1013025-84-7 Catalog No: AG000469 MDL No:
Product Description
Catalog Number:
AG000469
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-[(chlorosulfonyl)methyl]-, 1,4-dimethyl ester
CAS Number:
1013025-84-7
Molecular Formula:
C10H16ClNO6S
Molecular Weight:
313.7551
IUPAC Name:
dimethyl 4-(chlorosulfonylmethyl)piperidine-1,4-dicarboxylate
InChI:
InChI=1S/C10H16ClNO6S/c1-17-8(13)10(7-19(11,15)16)3-5-12(6-4-10)9(14)18-2/h3-7H2,1-2H3
InChI Key:
LZTJORIXELLSNH-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC(CC1)(CS(=O)(=O)Cl)C(=O)OC
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.749g/mol
Monoisotopic Mass:
313.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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