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115589-04-3 | 1,2-Piperidinedicarboxylic acid, 6-propyl-, dimethyl ester, (2S,6S)- (9CI)
CAS No: 115589-04-3 Catalog No: AG000G8A MDL No:
Product Description
Catalog Number:
AG000G8A
Chemical Name:
1,2-Piperidinedicarboxylic acid, 6-propyl-, dimethyl ester, (2S,6S)- (9CI)
CAS Number:
115589-04-3
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
IUPAC Name:
dimethyl (2S,6S)-6-propylpiperidine-1,2-dicarboxylate
InChI:
InChI=1S/C12H21NO4/c1-4-6-9-7-5-8-10(11(14)16-2)13(9)12(15)17-3/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1
InChI Key:
IEJFLESCBIJUMG-UWVGGRQHSA-N
SMILES:
CCC[C@H]1CCC[C@H](N1C(=O)OC)C(=O)OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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