| CAS Number | 21244-11-1 |
| Catalog Number | AG00C3YK(AGN-PC-0QXSVW) |
| Chemical Name | 7-(4-Methoxyphenyl)-7-oxoheptanoic acid |
| IUPAC Name | 7-(4-methoxyphenyl)-7-oxoheptanoic acid |
| InChI | InChI=1S/C14H18O4/c1-18-12-9-7-11(8-10-12)13(15)5-3-2-4-6-14(16)17/h7-10H,2-6H2,1H3,(H,16,17) |
| InChI Key | CEWMUHNHATTXSV-UHFFFAOYSA-N |
| MDL Number | MFCD01311627 |
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.2903 |
| SMILES | COC1=CC=C(C(CCCCCC(O)=O)=O)C=C1 |
| Synonyms | 7-(4-methoxyphenyl)-7-oxoheptanoic acid,
21244-11-1,
SCHEMBL3104200,
CTK4E6192,
DTXSID20454369,
ZINC2243621,
MFCD01311627,
AKOS016022369,
NE41190,
7-keto-7-(4-methoxyphenyl)enanthic acid,
7- -7-OXOHEPTANOICACID,
CID11075879,
7-(4-methoxyphenyl)-7-oxo-heptanoic Acid,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.294g/mol |
| Monoisotopic Mass | 250.121g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number