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126291-63-2 | 1,3-Piperidinedicarboxylic acid, 1-ethyl 3-methyl ester
CAS No: 126291-63-2 Catalog No: AG000SHU MDL No:MFCD09752684
Product Description
Catalog Number:
AG000SHU
Chemical Name:
1,3-Piperidinedicarboxylic acid, 1-ethyl 3-methyl ester
CAS Number:
126291-63-2
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
MDL Number:
MFCD09752684
IUPAC Name:
1-O-ethyl 3-O-methyl piperidine-1,3-dicarboxylate
InChI:
InChI=1S/C10H17NO4/c1-3-15-10(13)11-6-4-5-8(7-11)9(12)14-2/h8H,3-7H2,1-2H3
InChI Key:
LELILEJUDBAGQZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCCC(C1)C(=O)OC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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