| CAS Number | 1000931-40-7 |
| Catalog Number | AG019L1Y |
| Chemical Name | 2-(N-methyl4-cyanobenzenesulfonamido)acetic acid |
| IUPAC Name | 2-[(4-cyanophenyl)sulfonyl-methylamino]acetic acid |
| InChI | InChI=1S/C10H10N2O4S/c1-12(7-10(13)14)17(15,16)9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3,(H,13,14) |
| InChI Key | HVUMOKARPXYYFN-UHFFFAOYSA-N |
| MDL Number | MFCD09802167 |
| Molecular Formula | C10H10N2O4S |
| Molecular Weight | 254.2624 |
| SMILES | CN(S(C1=CC=C(C#N)C=C1)(=O)=O)CC(O)=O |
| Synonyms | 2-(N-methyl4-cyanobenzenesulfonamido)acetic acid,
1000931-40-7,
[[(4-cyanophenyl)sulfonyl](methyl)amino]acetic acid,
EN300-29574,
AC1Q3XAD,
CTK8F2294,
ZINC12760981,
AKOS008011142,
MCULE-8783365070,
NE49548,
BC4118978,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.26g/mol |
| Monoisotopic Mass | 254.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number