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148701-78-4 | 1-Piperidinecarboxylic acid, 3-oxo-2-phenyl-, 1,1-dimethylethyl ester
CAS No: 148701-78-4 Catalog No: AG001L4E MDL No:MFCD11520574
Product Description
Catalog Number:
AG001L4E
Chemical Name:
1-Piperidinecarboxylic acid, 3-oxo-2-phenyl-, 1,1-dimethylethyl ester
CAS Number:
148701-78-4
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD11520574
IUPAC Name:
tert-butyl 3-oxo-2-phenylpiperidine-1-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-11-7-10-13(18)14(17)12-8-5-4-6-9-12/h4-6,8-9,14H,7,10-11H2,1-3H3
InChI Key:
GUERJXXMFLJFMZ-UHFFFAOYSA-N
SMILES:
O=C1CCCN(C1c1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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