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85195-24-0 | Acetic acid, oxo[[(phenylmethyl)sulfonyl]amino]-, methyl ester
CAS No: 85195-24-0 Catalog No: AG004W2B MDL No:
Product Description
Catalog Number:
AG004W2B
Chemical Name:
Acetic acid, oxo[[(phenylmethyl)sulfonyl]amino]-, methyl ester
CAS Number:
85195-24-0
Molecular Formula:
C10H11NO5S
Molecular Weight:
257.2630
IUPAC Name:
methyl 2-(benzylsulfonylamino)-2-oxoacetate
InChI:
InChI=1S/C10H11NO5S/c1-16-10(13)9(12)11-17(14,15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChI Key:
CFFPQYSMVRUIMJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)NS(=O)(=O)Cc1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.26g/mol
Monoisotopic Mass:
257.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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