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136598-30-6 | 1,2-Piperidinedicarboxylic acid, 1-ethyl ester, (2S)-
CAS No: 136598-30-6 Catalog No: AG00124C MDL No:
Product Description
Catalog Number:
AG00124C
Chemical Name:
1,2-Piperidinedicarboxylic acid, 1-ethyl ester, (2S)-
CAS Number:
136598-30-6
Molecular Formula:
C9H14NO4-
Molecular Weight:
200.2118
IUPAC Name:
(2S)-1-ethoxycarbonylpiperidine-2-carboxylate
InChI:
InChI=1S/C9H15NO4/c1-2-14-9(13)10-6-4-3-5-7(10)8(11)12/h7H,2-6H2,1H3,(H,11,12)/p-1/t7-/m0/s1
InChI Key:
QIINMEGWTDLIJO-ZETCQYMHSA-M
SMILES:
CCOC(=O)N1CCCC[C@H]1C(=O)[O-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
200.092g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.214g/mol
Monoisotopic Mass:
200.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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