| CAS Number | 852520-45-7 |
| Catalog Number | AG00GLYR(AGN-PC-0JINV7) |
| Chemical Name | 3-(2-Methylpropoxy)-5-(propan-2-yloxy)benzoic acid |
| IUPAC Name | 3-(2-methylpropoxy)-5-propan-2-yloxybenzoic acid |
| InChI | InChI=1S/C14H20O4/c1-9(2)8-17-12-5-11(14(15)16)6-13(7-12)18-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,15,16) |
| InChI Key | DZONFUHMFVYNSD-UHFFFAOYSA-N |
| MDL Number | MFCD23989321 |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.3062 |
| SMILES | O=C(O)C1(=CC(OC(C)C)=CC(=C1)OCC(C)C) |
| Synonyms | 852520-45-7,
3-(2-methylpropoxy)-5-(propan-2-yloxy)benzoic acid,
3-Isobutoxy-5-isopropoxybenzoic acid,
KS-00002BA7,
ZX-RL000752,
0727AF,
ZINC91294592,
AKOS016028568,
SS-4612,
OR303262,
C14H20O4,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.136159g/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 | 252.136159g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number