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167414-76-8 | 1-Piperidinecarboxylic acid, 4-(2,3-dihydro-3-oxo-5-isoxazolyl)-, phenylmethyl ester
CAS No: 167414-76-8 Catalog No: AG001XDC MDL No:
Product Description
Catalog Number:
AG001XDC
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2,3-dihydro-3-oxo-5-isoxazolyl)-, phenylmethyl ester
CAS Number:
167414-76-8
Molecular Formula:
C16H18N2O4
Molecular Weight:
302.3251
IUPAC Name:
benzyl 4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H18N2O4/c19-15-10-14(22-17-15)13-6-8-18(9-7-13)16(20)21-11-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,17,19)
InChI Key:
CJMJWLDGMDAEDT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1o[nH]c(=O)c1)OCc1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.33g/mol
Monoisotopic Mass:
302.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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