| CAS Number | 383134-25-6 |
| Catalog Number | AG00I7LE(AGN-PC-0WQWYI) |
| Chemical Name | (5-Ethyl-2-methoxyphenyl)acetic acid |
| IUPAC Name | 2-(5-ethyl-2-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C11H14O3/c1-3-8-4-5-10(14-2)9(6-8)7-11(12)13/h4-6H,3,7H2,1-2H3,(H,12,13) |
| InChI Key | ZQFQKUSVDFEEAB-UHFFFAOYSA-N |
| MDL Number | MFCD02664724 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CCc1ccc(c(c1)CC(=O)O)OC |
| Synonyms | (5-ethyl-2-methoxyphenyl)acetic acid,
2-(5-ethyl-2-methoxyphenyl)acetic acid,
383134-25-6,
PAA-0057,
ZINC3750755,
ZX-BK002728,
BBL021887,
KM5293,
STK894604,
AKOS005144418,
MCULE-2464324759,
(5-Ethyl-2-methoxy-phenyl)-acetic acid,
BB 0248988,
AC1N9VFB,
CID4391883,
2-(5-ethyl-2-methoxy-phenyl)acetic Acid,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094294g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094294g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number