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1439922-08-3 | 3,4-Morpholinedicarboxylic acid, 6,6-dimethyl-, 4-(1,1-dimethylethyl) 3-methyl ester, (3S)-
CAS No: 1439922-08-3 Catalog No: AG001IPJ MDL No:
Product Description
Catalog Number:
AG001IPJ
Chemical Name:
3,4-Morpholinedicarboxylic acid, 6,6-dimethyl-, 4-(1,1-dimethylethyl) 3-methyl ester, (3S)-
CAS Number:
1439922-08-3
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
IUPAC Name:
4-O-tert-butyl 3-O-methyl (3S)-6,6-dimethylmorpholine-3,4-dicarboxylate
InChI:
InChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-8-13(4,5)18-7-9(14)10(15)17-6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChI Key:
OQAXKPFDEGWERL-VIFPVBQESA-N
SMILES:
COC(=O)[C@@H]1COC(CN1C(=O)OC(C)(C)C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.329g/mol
Monoisotopic Mass:
273.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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