| CAS Number | 883290-81-1 |
| Catalog Number | AG019ETF(AGN-PC-0A0M7A) |
| Chemical Name | 4-[(Carboxymethyl)methylamino]benzoic acid |
| IUPAC Name | 4-[carboxymethyl(methyl)amino]benzoic acid |
| InChI | InChI=1S/C10H11NO4/c1-11(6-9(12)13)8-4-2-7(3-5-8)10(14)15/h2-5H,6H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | IOOSPZLSDWROKW-UHFFFAOYSA-N |
| MDL Number | MFCD01014170 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | O=C(O)C1=CC=C(N(CC(O)=O)C)C=C1 |
| Synonyms | 883290-81-1,
4-((Carboxymethyl)(methyl)amino)benzoic acid,
4-[(CARBOXYMETHYL)(METHYL)AMINO]BENZOIC ACID,
methyl-4-carboxyphenyl-glycine,
SCHEMBL3763384,
MFCD01014170,
ZINC82713096,
AKOS022844702,
TZ000903,
4-[carboxymethyl(methyl)amino]benzoic acid,
CS-0037650,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.201g/mol |
| Monoisotopic Mass | 209.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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