| CAS Number | 923248-74-2 |
| Catalog Number | AG00IH3K |
| Chemical Name | 4-[(prop-2-yn-1-yl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-(prop-2-ynylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H9NO4S/c1-2-7-11-16(14,15)9-5-3-8(4-6-9)10(12)13/h1,3-6,11H,7H2,(H,12,13) |
| InChI Key | JLYMDTVAWSENHL-UHFFFAOYSA-N |
| MDL Number | MFCD08691077 |
| Molecular Formula | C10H9NO4S |
| Molecular Weight | 239.2478 |
| SMILES | OC(C1=CC=C(S(NCC#C)(=O)=O)C=C1)=O |
| Synonyms | 4-[(prop-2-yn-1-yl)sulfamoyl]benzoic acid,
923248-74-2,
4-[(prop-2-ynylamino)sulfonyl]benzoic acid,
EN300-16255,
AC1Q737N,
CTK5J0829,
MFCD08691077,
ZINC12504803,
AKOS000123345,
MCULE-7124866807,
NE20443,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.245g/mol |
| Monoisotopic Mass | 239.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number