| CAS Number | 926268-51-1 |
| Catalog Number | AG019MPI |
| Chemical Name | 3-[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]propanoic acid |
| IUPAC Name | 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propanoic acid |
| InChI | InChI=1S/C13H16O4/c1-13(2)8-9-4-3-5-10(12(9)17-13)16-7-6-11(14)15/h3-5H,6-8H2,1-2H3,(H,14,15) |
| InChI Key | JODWXVNYYIVABX-UHFFFAOYSA-N |
| MDL Number | MFCD09047089 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | CC1(OC2=C(C=CC=C2OCCC(O)=O)C1)C |
| Synonyms | 3-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]propanoic acid,
926268-51-1,
AC1Q2CN1,
CTK7J4534,
ZINC21968601,
AKOS000130649,
MCULE-1236921015,
EN300-36879,
AB00999502-01,
Z381061508,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number