| CAS Number | 86364-50-3 |
| Catalog Number | AG00IE14(AGN-PC-0WA9SD) |
| Chemical Name | 4-[(3-Carboxypropyl)amino]benzoic acid |
| IUPAC Name | 4-(3-carboxypropylamino)benzoic acid |
| InChI | InChI=1S/C11H13NO4/c13-10(14)2-1-7-12-9-5-3-8(4-6-9)11(15)16/h3-6,12H,1-2,7H2,(H,13,14)(H,15,16) |
| InChI Key | PJLWLUKAGLDSHV-UHFFFAOYSA-N |
| MDL Number | MFCD22549314 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | OC(=O)CCCNc1ccc(cc1)C(=O)O |
| Synonyms | 4-[(3-CARBOXYPROPYL)AMINO]BENZOIC ACID,
86364-50-3,
Benzoic acid, 4-[(3-carboxypropyl)amino]-,
CHEMBL283915,
KM3755,
ZINC29215197,
V8188,
C11H13NO4,
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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 | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number