| CAS Number | 63213-41-2 |
| Catalog Number | AG00F5VF(AGN-PC-0T7GBR) |
| Chemical Name | 4-(2,3,4-Trimethoxyphenyl)-4-oxobutyric acid |
| IUPAC Name | 4-oxo-4-(2,3,4-trimethoxyphenyl)butanoic acid |
| InChI | InChI=1S/C13H16O6/c1-17-10-6-4-8(9(14)5-7-11(15)16)12(18-2)13(10)19-3/h4,6H,5,7H2,1-3H3,(H,15,16) |
| InChI Key | WOSCTGONARAZFQ-UHFFFAOYSA-N |
| MDL Number | MFCD09801784 |
| Molecular Formula | C13H16O6 |
| Molecular Weight | 268.2625 |
| SMILES | COC1=C(OC)C(OC)=C(C(CCC(O)=O)=O)C=C1 |
| Synonyms | 4-(2,3,4-TRIMETHOXYPHENYL)-4-OXOBUTYRIC ACID,
63213-41-2,
4-oxo-4-(2,3,4-trimethoxyphenyl)butanoic Acid,
SCHEMBL4118586,
CTK5B8113,
DTXSID50449344,
WOSCTGONARAZFQ-UHFFFAOYSA-N,
MFCD09801784,
ZINC36181225,
AKOS009604565,
MCULE-1391160859,
NE34927,
4-Oxo-4-(2,3,4-trimethoxy-phenyl)-butyric acid,
Z1655104117,
CID10945432,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.265g/mol |
| Monoisotopic Mass | 268.095g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 82.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number