| CAS Number | 1015856-35-5 |
| Catalog Number | AG00H9IG |
| Chemical Name | 2-Hexanamido-5-hydroxybenzoic acid |
| IUPAC Name | 2-(hexanoylamino)-5-hydroxybenzoic acid |
| InChI | InChI=1S/C13H17NO4/c1-2-3-4-5-12(16)14-11-7-6-9(15)8-10(11)13(17)18/h6-8,15H,2-5H2,1H3,(H,14,16)(H,17,18) |
| InChI Key | JMXCMDVOSTZOLW-UHFFFAOYSA-N |
| MDL Number | MFCD09998271 |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| SMILES | CCCCCC(=O)NC1=CC=C(O)C=C1C(O)=O |
| Synonyms | 2-HEXANAMIDO-5-HYDROXYBENZOIC ACID,
1015856-35-5,
CTK6D6707,
AR3221,
MFCD09998271,
ZINC35287487,
2-hexanoylamino-5-hydroxybenzoic acid,
AKOS010666249,
AS-45552,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.282g/mol |
| Monoisotopic Mass | 251.116g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number