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747406-57-1 | 4-Isoxazolesulfonicacid, 3-methyl-
CAS No: 747406-57-1 Catalog No: AG0059OW MDL No:
Product Description
Catalog Number:
AG0059OW
Chemical Name:
4-Isoxazolesulfonicacid, 3-methyl-
CAS Number:
747406-57-1
Molecular Formula:
C4H5NO4S
Molecular Weight:
163.1518
IUPAC Name:
3-methyl-1,2-oxazole-4-sulfonic acid
InChI:
InChI=1S/C4H5NO4S/c1-3-4(2-9-5-3)10(6,7)8/h2H,1H3,(H,6,7,8)
InChI Key:
NDAUMVAYFRGGFU-UHFFFAOYSA-N
SMILES:
Cc1nocc1S(=O)(=O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.147g/mol
Monoisotopic Mass:
162.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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