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119421-05-5 | Acetic acid, 2-[[(4-methoxyphenyl)amino]sulfinyl]-, 1,1-dimethylethyl ester
CAS No: 119421-05-5 Catalog No: AG000IQW MDL No:
Product Description
Catalog Number:
AG000IQW
Chemical Name:
Acetic acid, 2-[[(4-methoxyphenyl)amino]sulfinyl]-, 1,1-dimethylethyl ester
CAS Number:
119421-05-5
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
IUPAC Name:
tert-butyl 2-(4-methoxyphenyl)sulfinamoylacetate
InChI:
InChI=1S/C13H19NO4S/c1-13(2,3)18-12(15)9-19(16)14-10-5-7-11(17-4)8-6-10/h5-8,14H,9H2,1-4H3
InChI Key:
HHISHTKHMLEILW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NS(=O)CC(=O)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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