| CAS Number | 23442-22-0 |
| Catalog Number | AG002N9L(AGN-PC-0MWF62) |
| Chemical Name | Benzoic acid, 4-amino-3-butoxy- |
| IUPAC Name | 4-amino-3-butoxybenzoic acid |
| InChI | InChI=1S/C11H15NO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6,12H2,1H3,(H,13,14) |
| InChI Key | HXPQKILUHVHNEE-UHFFFAOYSA-N |
| MDL Number | MFCD00869773 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | NC1=C(C=C(C(=O)O)C=C1)OCCCC |
| Synonyms | 4-amino-3-butoxybenzoic acid,
23442-22-0,
Benzoic acid, 4-amino-3-butoxy-,
3-BUTOXY-4-AMINOBENZOIC ACID,
p-amino-m-butoxy-benzoic acid,
SCHEMBL5925659,
Benzoic acid,4-amino-3-butoxy-,
CTK4F1480,
DTXSID40433398,
AKOS009475989,
ACM23442220,
4-amino-3-butoxy-benzoic Acid,
CID9964429,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number