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54732-79-5 | Dimethyl piperidine-3,5-dicarboxylate
CAS No: 54732-79-5 Catalog No: AG0039FJ MDL No:MFCD16039630
Product Description
Catalog Number:
AG0039FJ
Chemical Name:
Dimethyl piperidine-3,5-dicarboxylate
CAS Number:
54732-79-5
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD16039630
IUPAC Name:
dimethyl piperidine-3,5-dicarboxylate
InChI:
InChI=1S/C9H15NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3
InChI Key:
FOEXRJBHOCBGFH-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCC(C1)C(=O)OC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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