| CAS Number | 929339-05-9 |
| Catalog Number | AG01AR8M |
| Chemical Name | 3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanoic acid |
| IUPAC Name | 3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoic acid |
| InChI | InChI=1S/C14H14O5/c1-8-5-14(17)19-12-7-11(18-2)9(6-10(8)12)3-4-13(15)16/h5-7H,3-4H2,1-2H3,(H,15,16) |
| InChI Key | CZBCOPIJHZLFLZ-UHFFFAOYSA-N |
| MDL Number | MFCD09259073 |
| Molecular Formula | C14H14O5 |
| Molecular Weight | 262.2580 |
| SMILES | COC1=C(CCC(O)=O)C=C2C(OC(C=C2C)=O)=C1 |
| Synonyms | 3-(7-methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanoic acid,
929339-05-9,
3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanoic acid,
BBL010532,
MFCD09259073,
SBB081106,
STK925744,
ZINC11764669,
AKOS000275910,
MCULE-5939466226,
NCGC00332246-01,
ST51065000,
AB01326435-02,
F2106-0078,
3-(7-Methoxy-4-methyl-2-oxo-2H-chromen-6-yl)propanoic acid, AldrichCPR,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.261g/mol |
| Monoisotopic Mass | 262.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number