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203662-52-6 | 1-Piperidinecarboxylic acid, 4-hydroxy-4-(2-oxiranylmethyl)-, 1,1-dimethylethyl ester
CAS No: 203662-52-6 Catalog No: AG00292Z MDL No:MFCD24467250
Product Description
Catalog Number:
AG00292Z
Chemical Name:
1-Piperidinecarboxylic acid, 4-hydroxy-4-(2-oxiranylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
203662-52-6
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD24467250
IUPAC Name:
tert-butyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO4/c1-12(2,3)18-11(15)14-6-4-13(16,5-7-14)8-10-9-17-10/h10,16H,4-9H2,1-3H3
InChI Key:
UKPQAGHIODTKFO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(O)CC1OC1)OC(C)(C)C
Properties
Complexity:
315
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:
62.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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