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130546-33-7 | 4-Morpholinecarboxylic acid, 2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 130546-33-7 Catalog No: AG000UMN MDL No:MFCD22205724
Product Description
Catalog Number:
AG000UMN
Chemical Name:
4-Morpholinecarboxylic acid, 2-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
130546-33-7
Molecular Formula:
C17H25NO6S
Molecular Weight:
371.4485
MDL Number:
MFCD22205724
IUPAC Name:
tert-butyl 2-[(4-methylphenyl)sulfonyloxymethyl]morpholine-4-carboxylate
InChI:
InChI=1S/C17H25NO6S/c1-13-5-7-15(8-6-13)25(20,21)23-12-14-11-18(9-10-22-14)16(19)24-17(2,3)4/h5-8,14H,9-12H2,1-4H3
InChI Key:
LOBHRXDXENCDIZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC1OCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.14g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.448g/mol
Monoisotopic Mass:
371.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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