119-17-5
Product Name:
1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
Formula:
C10H10N2O4S
Synonyms:
1-(3-Sulfophenyl)-3-methyl-5-pyrazolone;3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
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SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H317:Sensitisation, Skin |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 254.26 g/mol |
---|---|
XLogP3 | 0 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Exact Mass | 254.03612798 g/mol |
Monoisotopic Mass | 254.03612798 g/mol |
Topological Polar Surface Area | 95.4 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 451 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
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