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130317-10-1 | 4-Morpholinecarboxylic acid, 2-oxo-5-(phenylmethyl)-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS No: 130317-10-1 Catalog No: AG000UA0 MDL No:
Product Description
Catalog Number:
AG000UA0
Chemical Name:
4-Morpholinecarboxylic acid, 2-oxo-5-(phenylmethyl)-, 1,1-dimethylethyl ester, (S)- (9CI)
CAS Number:
130317-10-1
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
IUPAC Name:
tert-butyl (5S)-5-benzyl-2-oxomorpholine-4-carboxylate
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-10-14(18)20-11-13(17)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChI Key:
NQZZZVQLJCFCGL-ZDUSSCGKSA-N
SMILES:
O=C(N1CC(=O)OC[C@@H]1Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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