| CAS Number | 166442-37-1 |
| Catalog Number | AG001WR2(AGN-PC-0JELM4) |
| Chemical Name | 4-(Acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid |
| IUPAC Name | 4-acetamido-2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid |
| InChI | InChI=1S/C18H18N2O5/c1-10(21)19-11-4-6-13(18(24)25)15(8-11)17(23)14-7-5-12(20(2)3)9-16(14)22/h4-9,22H,1-3H3,(H,19,21)(H,24,25) |
| InChI Key | WCNJYYOJSXOYND-UHFFFAOYSA-N |
| MDL Number | MFCD01863321 |
| Molecular Formula | C18H18N2O5 |
| Molecular Weight | 342.3459 |
| SMILES | CC(=O)Nc1ccc(c(c1)C(=O)c1ccc(cc1O)N(C)C)C(=O)O |
| Synonyms | 5'-ACETAMIDO-2'-CARBOXY-4-DIMETHYLAMINO-2-HYDROXYBENZOPHENONE,
166442-37-1,
AC1NA6CA,
SCHEMBL9113444,
CTK4D2351,
DTXSID50402833,
ZINC2387111,
AKOS025294676,
AB10359,
ACM166442371,
RT-009963,
FT-0660978,
4-acetamido-2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid,
4-(Acetylamino)-2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic Acid,
WCNJYYOJSXOYND-UHFFFAOYSA-N,
CID4396772,
CS-T-00152,
4-acetamido-2-(4-dimethylamino-2-hydroxy-benzoyl)benzoic Acid,
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| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.351g/mol |
| Monoisotopic Mass | 342.122g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number