| CAS Number | 590395-60-1 |
| Catalog Number | AG00EC2O(AGN-PC-0WB4NN) |
| Chemical Name | 2-(2-Chloro-6-ethoxy-4-formylphenoxy)propanoic acid |
| IUPAC Name | 2-(2-chloro-6-ethoxy-4-formylphenoxy)propanoic acid |
| InChI | InChI=1S/C12H13ClO5/c1-3-17-10-5-8(6-14)4-9(13)11(10)18-7(2)12(15)16/h4-7H,3H2,1-2H3,(H,15,16) |
| InChI Key | ZQKVVBDFOFCEEA-UHFFFAOYSA-N |
| MDL Number | MFCD04083025 |
| Molecular Formula | C12H13ClO5 |
| Molecular Weight | 272.6816 |
| SMILES | C1(=C(OCC)C=C(C=C1Cl)C=O)OC(C)C(O)=O |
| Synonyms | 2-(2-chloro-6-ethoxy-4-formylphenoxy)propanoic acid,
590395-60-1,
CHEMBRDG-BB 6729959,
AC1MPNUF,
SCHEMBL2559822,
CTK5A9296,
DTXSID50392482,
SP663,
ZX-CM016969,
BBL025849,
MFCD04083025,
STL380940,
AKOS000113144,
AKOS022060387,
MCULE-5539666592,
Y-1175,
2-(2-chloro-6-ethoxy-4-formylphenoxy)propanoic,
ACID,
CHEMBRDG-BB6729959,
CID3438309,
2-(2-chloro-6-ethoxy-4-formyl-phenoxy)propanoic Acid,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.681g/mol |
| Monoisotopic Mass | 272.045g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number