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1260876-51-4 | 1,4-Piperidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) ester
CAS No: 1260876-51-4 Catalog No: AG000RHG MDL No:MFCD11975908
Product Description
Catalog Number:
AG000RHG
Chemical Name:
1,4-Piperidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) ester
CAS Number:
1260876-51-4
Molecular Formula:
C11H18NO5-
Molecular Weight:
244.2643
MDL Number:
MFCD11975908
IUPAC Name:
3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-7(9(14)15)8(13)6-12/h7-8,13H,4-6H2,1-3H3,(H,14,15)
InChI Key:
RIZCQEWQJRFDHL-UHFFFAOYSA-N
SMILES:
OC1CN(CCC1C(=O)[O-])C(=O)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.275g/mol
Monoisotopic Mass:
245.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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