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188792-67-8 | 1,4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1,1-dimethylethyl) ester
CAS No: 188792-67-8 Catalog No: AG002HBW MDL No:MFCD08062529
Product Description
Catalog Number:
AG002HBW
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-ethyl-, 1-(1,1-dimethylethyl) ester
CAS Number:
188792-67-8
Molecular Formula:
C13H22NO4-
Molecular Weight:
256.3181
MDL Number:
MFCD08062529
IUPAC Name:
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H23NO4/c1-5-13(10(15)16)6-8-14(9-7-13)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,15,16)
InChI Key:
JEDALECUOKHQDK-UHFFFAOYSA-N
SMILES:
CCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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