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158469-71-7 | 1-Piperidinecarboxylic acid, 4-[1-(hydroxymethyl)ethenyl]-, 1,1-dimethylethyl ester
CAS No: 158469-71-7 Catalog No: AG001Q7B MDL No:MFCD24473147
Product Description
Catalog Number:
AG001Q7B
Chemical Name:
1-Piperidinecarboxylic acid, 4-[1-(hydroxymethyl)ethenyl]-, 1,1-dimethylethyl ester
CAS Number:
158469-71-7
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD24473147
IUPAC Name:
tert-butyl 4-(3-hydroxyprop-1-en-2-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-10(9-15)11-5-7-14(8-6-11)12(16)17-13(2,3)4/h11,15H,1,5-9H2,2-4H3
InChI Key:
WBELQYAEKAZQID-UHFFFAOYSA-N
SMILES:
OCC(=C)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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