| CAS Number | 1346608-85-2 |
| Catalog Number | AG00HTF7(AGN-PC-0WD2ZZ) |
| Chemical Name | 4-(Cyclopropylsulfonyl)benzoic acid |
| IUPAC Name | 4-cyclopropylsulfonylbenzoic acid |
| InChI | InChI=1S/C10H10O4S/c11-10(12)7-1-3-8(4-2-7)15(13,14)9-5-6-9/h1-4,9H,5-6H2,(H,11,12) |
| InChI Key | UKHGPJWPMADJGO-UHFFFAOYSA-N |
| MDL Number | MFCD20921541 |
| Molecular Formula | C10H10O4S |
| Molecular Weight | 226.2490 |
| SMILES | OC(C1=CC=C(S(C2CC2)(=O)=O)C=C1)=O |
| Synonyms | 4-(Cyclopropylsulfonyl)benzoic acid,
1346608-85-2,
4-(Cyclopropanesulfonyl)benzoic acid,
SCHEMBL2594743,
4-cyclopropylsulfonylbenzoic acid,
DTXSID70737316,
UKHGPJWPMADJGO-UHFFFAOYSA-N,
ZINC95829919,
AKOS022172310,
QC-8693,
AJ-134067,
Z2235810194,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.246g/mol |
| Monoisotopic Mass | 226.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number