| CAS Number | 632628-02-5 |
| Catalog Number | AG00IB6P(AGN-PC-0BT1T2) |
| Chemical Name | 2-Hydroxy-5-(methylsulfonyl)benzaldehyde |
| IUPAC Name | 2-hydroxy-5-methylsulfonylbenzaldehyde |
| InChI | InChI=1S/C8H8O4S/c1-13(11,12)7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3 |
| InChI Key | ULGVXKLEKPONQM-UHFFFAOYSA-N |
| MDL Number | MFCD13190322 |
| Molecular Formula | C8H8O4S |
| Molecular Weight | 200.2117 |
| SMILES | O=Cc1cc(ccc1O)S(=O)(=O)C |
| Synonyms | 2-hydroxy-5-(methylsulfonyl)benzaldehyde,
632628-02-5,
2-HYDROXY-5-METHANESULFONYL-BENZALDEHYDE,
SCHEMBL136274,
DTXSID40726292,
ULGVXKLEKPONQM-UHFFFAOYSA-N,
KM0726,
ZINC79016504,
2-hydroxy-5-methylsulfonylbenzaldehyde,
AKOS023809300,
2-hydroxy-5-methanesulfonylbenzaldehyde,
2-hydroxy-5methanesulfonyl-benzaldehyde,
AB70201,
FCH1381461,
2-Hydroxy-5-(methanesulfonyl)benzaldehyde,
BP-20512,
OR322869,
Benzaldehyde, 2-hydroxy-5-(methylsulfonyl)-,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.208g/mol |
| Monoisotopic Mass | 200.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number