| CAS Number | 923200-13-9 |
| Catalog Number | AG019LBZ |
| Chemical Name | 7-propoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid |
| IUPAC Name | 7-propoxy-3,4-dihydro-2H-chromene-3-carboxylic acid |
| InChI | InChI=1S/C13H16O4/c1-2-5-16-11-4-3-9-6-10(13(14)15)8-17-12(9)7-11/h3-4,7,10H,2,5-6,8H2,1H3,(H,14,15) |
| InChI Key | HTQUFYWZAANEMW-UHFFFAOYSA-N |
| MDL Number | MFCD08445195 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | CCCOC1=CC2=C(CC(C(O)=O)CO2)C=C1 |
| Synonyms | 7-propoxychromane-3-carboxylic acid,
7-propoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid,
923200-13-9,
AC1Q2YHG,
CTK6E6145,
7-propoxychroman-3-carboxylic acid,
SBB084130,
AKOS005217149,
MCULE-4950757386,
NE62177,
EN300-30750,
7-Propoxy-chroman-3-carboxylic acid,
|
| Complexity | 266 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number