| CAS Number | 923238-81-7 |
| Catalog Number | AG019PXL |
| Chemical Name | 2,3-dihydro-1H-benzo[f]chromene-2-carboxylic acid |
| IUPAC Name | 2,3-dihydro-1H-benzo[f]chromene-2-carboxylic acid |
| InChI | InChI=1S/C14H12O3/c15-14(16)10-7-12-11-4-2-1-3-9(11)5-6-13(12)17-8-10/h1-6,10H,7-8H2,(H,15,16) |
| InChI Key | WOGFRQYQWSZVJK-UHFFFAOYSA-N |
| MDL Number | MFCD08444780 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | OC(C1CC2=C(C=CC3=C2C=CC=C3)OC1)=O |
| Synonyms | 2,3-dihydro-1H-benzo[f]chromene-2-carboxylic acid,
1H,2H,3H-naphtho[2,1-b]pyran-2-carboxylic acid,
EN300-86676,
923238-81-7,
AC1Q74Q5,
CTK7J0682,
BBL026447,
STL367205,
AKOS000430727,
AKOS022061334,
MCULE-1323723298,
H0186,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.247g/mol |
| Monoisotopic Mass | 228.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number