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1331825-48-9 | 1-Piperidinecarboxylic acid, 3-hydroxy-3-(2-propen-1-yl)-, 1,1-dimethylethyl ester
CAS No: 1331825-48-9 Catalog No: AG0014D7 MDL No:MFCD27987033
Product Description
Catalog Number:
AG0014D7
Chemical Name:
1-Piperidinecarboxylic acid, 3-hydroxy-3-(2-propen-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
1331825-48-9
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD27987033
IUPAC Name:
tert-butyl 3-hydroxy-3-prop-2-enylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-5-7-13(16)8-6-9-14(10-13)11(15)17-12(2,3)4/h5,16H,1,6-10H2,2-4H3
InChI Key:
CBHSLDWWMOVQSD-UHFFFAOYSA-N
SMILES:
C=CCC1(O)CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
296
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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