| CAS Number | 1179243-44-7 |
| Catalog Number | AG01BD91 |
| Chemical Name | 2-(3-methoxypropoxy)-4-propoxybenzoic acid |
| IUPAC Name | 2-(3-methoxypropoxy)-4-propoxybenzoic acid |
| InChI | InChI=1S/C14H20O5/c1-3-7-18-11-5-6-12(14(15)16)13(10-11)19-9-4-8-17-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,16) |
| InChI Key | WHHAHBPWUJTQAG-UHFFFAOYSA-N |
| MDL Number | MFCD12876278 |
| Molecular Formula | C14H20O5 |
| Molecular Weight | 268.3056 |
| SMILES | CCCOC1=CC(OCCCOC)=C(C(O)=O)C=C1 |
| Synonyms | 2-(3-methoxypropoxy)-4-propoxybenzoic acid,
1179243-44-7,
ZINC37753855,
AKOS005936223,
MCULE-3731706142,
NE30753,
Z1834278365,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.309g/mol |
| Monoisotopic Mass | 268.131g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number