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139122-78-4 | 3-Piperidinecarboxylic acid, 2,4-dioxo-, methyl ester, sodium salt (1:1)
CAS No: 139122-78-4 Catalog No: AG001ACM MDL No:
Product Description
Catalog Number:
AG001ACM
Chemical Name:
3-Piperidinecarboxylic acid, 2,4-dioxo-, methyl ester, sodium salt (1:1)
CAS Number:
139122-78-4
Molecular Formula:
C7H9NNaO4
Molecular Weight:
194.1404
IUPAC Name:
sodium;methyl 2,4-dioxopiperidin-1-ide-3-carboxylate
InChI:
InChI=1S/C7H9NO4.Na/c1-12-7(11)5-4(9)2-3-8-6(5)10;/h5H,2-3H2,1H3,(H,8,10);/q;+1/p-1
InChI Key:
DDRNHSMNCKFPEI-UHFFFAOYSA-M
SMILES:
COC(=O)C1C(=O)CCNC1=O.[Na]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.134g/mol
Monoisotopic Mass:
193.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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