| CAS Number | 1155118-54-9 |
| Catalog Number | AG01BCTH |
| Chemical Name | 2-butoxy-4-propoxybenzoic acid |
| IUPAC Name | 2-butoxy-4-propoxybenzoic acid |
| InChI | InChI=1S/C14H20O4/c1-3-5-9-18-13-10-11(17-8-4-2)6-7-12(13)14(15)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,16) |
| InChI Key | YOLFTPAAHIIVSB-UHFFFAOYSA-N |
| MDL Number | MFCD12072069 |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.3062 |
| SMILES | CCCCOC1=C(C(O)=O)C=CC(OCCC)=C1 |
| Synonyms | 2-butoxy-4-propoxybenzoic acid,
1155118-54-9,
ZINC35414221,
AKOS009531577,
MCULE-4509071043,
NE25542,
Z1834278441,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.31g/mol |
| Monoisotopic Mass | 252.136g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number