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849928-30-9 | 1-Boc-2-Phenyl-4-piperidinone
CAS No: 849928-30-9 Catalog No: AG004U42 MDL No:MFCD04035609
Product Description
Catalog Number:
AG004U42
Chemical Name:
1-Boc-2-Phenyl-4-piperidinone
CAS Number:
849928-30-9
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
MDL Number:
MFCD04035609
IUPAC Name:
tert-butyl 4-oxo-2-phenylpiperidine-1-carboxylate
InChI:
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-13(18)11-14(17)12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChI Key:
UMUHNUZMXNXCMV-UHFFFAOYSA-N
SMILES:
O=C1CCN(C(C1)c1ccccc1)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:
2.1
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