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1166394-97-3 | 4-Morpholinecarboxylic acid, 3-oxo-5-[4-(phenylmethoxy)butyl]-, 1,1-dimethylethyl ester, (5S)-
CAS No: 1166394-97-3 Catalog No: AG000CWP MDL No:MFCD18206977
Product Description
Catalog Number:
AG000CWP
Chemical Name:
4-Morpholinecarboxylic acid, 3-oxo-5-[4-(phenylmethoxy)butyl]-, 1,1-dimethylethyl ester, (5S)-
CAS Number:
1166394-97-3
Molecular Formula:
C20H29NO5
Molecular Weight:
363.4480
MDL Number:
MFCD18206977
IUPAC Name:
(5S)-5-(4-phenylmethoxybutyl)morpholin-3-one
InChI:
InChI=1S/C15H21NO3/c17-15-12-19-11-14(16-15)8-4-5-9-18-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/t14-/m0/s1
InChI Key:
UPMDOMUIUAIJHN-AWEZNQCLSA-N
SMILES:
O=C(N1[C@@H](CCCCOCc2ccccc2)COCC1=O)OC(C)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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