| CAS Number | 156867-56-0 |
| Catalog Number | AG001P13(AGN-PC-0O4H8P) |
| Chemical Name | 4-((Methylsulfonyl)methyl)benzaldehyde |
| IUPAC Name | 4-(methylsulfonylmethyl)benzaldehyde |
| InChI | InChI=1S/C9H10O3S/c1-13(11,12)7-9-4-2-8(6-10)3-5-9/h2-6H,7H2,1H3 |
| InChI Key | RUZRGRDECVOHGI-UHFFFAOYSA-N |
| MDL Number | MFCD21603748 |
| Molecular Formula | C9H10O3S |
| Molecular Weight | 198.2389 |
| SMILES | CS(CC1=CC=C(C=O)C=C1)(=O)=O |
| Synonyms | 4-((Methylsulfonyl)methyl)benzaldehyde,
156867-56-0,
4-(methylsulfonylmethyl)benzaldehyde,
SCHEMBL6204063,
KS-00000OX3,
MFCD21603748,
ZINC95931503,
AKOS022180000,
AK-54120,
DS-14451,
Benzaldehyde, 4-[(methylsulfonyl)methyl]-,
AJ-137171,
FT-0754000,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.236g/mol |
| Monoisotopic Mass | 198.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number