| CAS Number | 2109874-13-5 |
| Catalog Number | AG01DU7L |
| Chemical Name | (S)-4-CARBOXYPHENYLGLYCINE HYDROCHLORIDE |
| IUPAC Name | 4-[amino(carboxy)methyl]benzoic acid;hydrochloride |
| InChI | InChI=1S/C9H9NO4.ClH/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12;/h1-4,7H,10H2,(H,11,12)(H,13,14);1H |
| InChI Key | CXRMZVRXERFVAG-UHFFFAOYSA-N |
| MDL Number | MFCD31555228 |
| Molecular Formula | C9H10ClNO4 |
| Molecular Weight | 231.6330 |
| SMILES | O=C(O)C1=CC=C([C@H](N)C(O)=O)C=C1.[H]Cl |
| Synonyms | (S)-4-(Amino(carboxy)methyl)benzoic acid hydrochloride,
2109874-13-5,
AK688659,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.632g/mol |
| Monoisotopic Mass | 231.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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