| CAS Number | 1193389-28-4 |
| Catalog Number | AG019VRW |
| Chemical Name | 4-Amino-3-(3-carboxypropyl)benzoic acid |
| IUPAC Name | 4-amino-3-(3-carboxypropyl)benzoic acid |
| InChI | InChI=1S/C11H13NO4/c12-9-5-4-8(11(15)16)6-7(9)2-1-3-10(13)14/h4-6H,1-3,12H2,(H,13,14)(H,15,16) |
| InChI Key | QZDRDYKVUQDJIT-UHFFFAOYSA-N |
| MDL Number | MFCD12197368 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | NC1=C(CCCC(O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 4-amino-3-(3-carboxypropyl)benzoic acid,
1193389-28-4,
AC1Q50XZ,
CTK7J3305,
ZINC36379513,
AKOS016399766,
MCULE-1874789771,
NE51735,
NCGC00336414-01,
EN300-48627,
AB01330540-02,
Z234893369,
|
| Complexity | 267 |
| 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 | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number