| CAS Number | 878749-52-1 |
| Catalog Number | AG01CAC1 |
| Chemical Name | 5-amino-2,4-dimethoxybenzoic acid hydrochloride |
| IUPAC Name | 5-amino-2,4-dimethoxybenzoic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO4.ClH/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12;/h3-4H,10H2,1-2H3,(H,11,12);1H |
| InChI Key | ZKRHROLVLDDNNQ-UHFFFAOYSA-N |
| MDL Number | MFCD31457167 |
| Molecular Formula | C9H12ClNO4 |
| Molecular Weight | 233.6489 |
| SMILES | Cl.COC1=C(N)C=C(C(O)=O)C(OC)=C1 |
| Synonyms | 5-amino-2,4-dimethoxybenzoic acid hydrochloride,
878749-52-1,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.648g/mol |
| Monoisotopic Mass | 233.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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