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81357-18-8 | 1,2-Piperidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS No: 81357-18-8 Catalog No: AG0038FG MDL No:MFCD09842531
Product Description
Catalog Number:
AG0038FG
Chemical Name:
1,2-Piperidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
81357-18-8
Molecular Formula:
C12H19NO5
Molecular Weight:
257.2830
MDL Number:
MFCD09842531
IUPAC Name:
1-O-tert-butyl 2-O-methyl 4-oxopiperidine-1,2-dicarboxylate
InChI:
InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h9H,5-7H2,1-4H3
InChI Key:
ROHLQPZIUYTLGR-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(=O)CCN1C(=O)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.286g/mol
Monoisotopic Mass:
257.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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