| CAS Number | 60696-49-3 |
| Catalog Number | AG00IAQG(AGN-PC-04QKXK) |
| Chemical Name | N-butyl-4-hydroxybenzamide |
| IUPAC Name | N-butyl-4-hydroxybenzamide |
| InChI | InChI=1S/C11H15NO2/c1-2-3-8-12-11(14)9-4-6-10(13)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,12,14) |
| InChI Key | ZPNCAIPZFMVZIS-UHFFFAOYSA-N |
| MDL Number | MFCD01118983 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CCCCNC(=O)c1ccc(cc1)O |
| Synonyms | N-butyl-4-hydroxybenzamide,
60696-49-3,
Benzamide, N-butyl-4-hydroxy-,
4-hydroxy-N-n-butylbenzamide,
SCHEMBL164070,
CHEMBL397586,
ZINC19838389,
AKOS000213117,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number