| CAS Number | 96078-22-7 |
| Catalog Number | AG006SR3(AGN-PC-0WB4GM) |
| Chemical Name | 2-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]propanoic acid |
| IUPAC Name | 2-(4-methyl-2-oxochromen-6-yl)oxypropanoic acid |
| InChI | InChI=1S/C13H12O5/c1-7-5-12(14)18-11-4-3-9(6-10(7)11)17-8(2)13(15)16/h3-6,8H,1-2H3,(H,15,16) |
| InChI Key | UPXDHEXQSUSAKG-UHFFFAOYSA-N |
| MDL Number | MFCD02955615 |
| Molecular Formula | C13H12O5 |
| Molecular Weight | 248.2314 |
| SMILES | C1(C)=CC(=O)OC2C=CC(=CC1=2)OC(C)C(O)=O |
| Synonyms | 2-[(4-methyl-2-oxo-2H-chromen-6-yl)oxy]propanoic acid,
96078-22-7,
2-((4-Methyl-2-oxo-2H-chromen-6-yl)oxy)propanoic acid,
AC1MQBPN,
MLS000704838,
CHEMBL1307915,
CTK5H8573,
DTXSID50392361,
HMS2569G10,
ZX-CM016490,
MFCD02955615,
AKOS022184437,
SMR000231764,
W-9878,
2-(4-methyl-2-oxochromen-6-yl)oxypropanoic acid,
2-[ oxy]propanoicacid,
CID3424447,
AO-375/14491103,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.234g/mol |
| Monoisotopic Mass | 248.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number