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1272756-00-9 | 1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1272756-00-9 Catalog No: AG000WU1 MDL No:MFCD18651704
Product Description
Catalog Number:
AG000WU1
Chemical Name:
1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1272756-00-9
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
MDL Number:
MFCD18651704
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 5-hydroxypiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C13H23NO5/c1-5-18-11(16)9-6-10(15)8-14(7-9)12(17)19-13(2,3)4/h9-10,15H,5-8H2,1-4H3
InChI Key:
JZPKVZMVVCCMSR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(O)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.329g/mol
Monoisotopic Mass:
273.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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