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198422-46-7 | 1-Piperidinecarboxylic acid, 2,6-bis(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,6S)-rel-
CAS No: 198422-46-7 Catalog No: AG002BIA MDL No:
Product Description
Catalog Number:
AG002BIA
Chemical Name:
1-Piperidinecarboxylic acid, 2,6-bis(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R,6S)-rel-
CAS Number:
198422-46-7
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
IUPAC Name:
tert-butyl (2S,6R)-2,6-bis(hydroxymethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H23NO4/c1-12(2,3)17-11(16)13-9(7-14)5-4-6-10(13)8-15/h9-10,14-15H,4-8H2,1-3H3/t9-,10+
InChI Key:
CHSGQXHSSGXPHK-AOOOYVTPSA-N
SMILES:
OC[C@@H]1CCC[C@@H](N1C(=O)OC(C)(C)C)CO
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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