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787513-23-9 | 4-Isoxazolesulfinicacid, 3,5-dimethyl-
CAS No: 787513-23-9 Catalog No: AG0051GR MDL No:
Product Description
Catalog Number:
AG0051GR
Chemical Name:
4-Isoxazolesulfinicacid, 3,5-dimethyl-
CAS Number:
787513-23-9
Molecular Formula:
C5H7NO3S
Molecular Weight:
161.1790
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-sulfinic acid
InChI:
InChI=1S/C5H7NO3S/c1-3-5(10(7)8)4(2)9-6-3/h1-2H3,(H,7,8)
InChI Key:
SHNRIAXURNRMEM-UHFFFAOYSA-N
SMILES:
OS(=O)c1c(C)noc1C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.175g/mol
Monoisotopic Mass:
161.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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