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62522-62-7 | 3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid amide
CAS No: 62522-62-7 Catalog No: AG017CPF MDL No:MFCD02932858
Product Description
Catalog Number:
AG017CPF
Chemical Name:
3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonic acid amide
CAS Number:
62522-62-7
Molecular Formula:
C8H8N2O4S
Molecular Weight:
228.2251
MDL Number:
MFCD02932858
IUPAC Name:
3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
InChI:
InChI=1S/C8H8N2O4S/c1-10-6-3-2-5(15(9,12)13)4-7(6)14-8(10)11/h2-4H,1H3,(H2,9,12,13)
InChI Key:
WVYDXZCZMWDPOV-UHFFFAOYSA-N
SMILES:
Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.222g/mol
Monoisotopic Mass:
228.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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