| CAS Number | 15561-50-9 |
| Catalog Number | AG001O2A(AGN-PC-022S26) |
| Chemical Name | 2-(2,6-Dimethoxyphenyl)acetic acid |
| IUPAC Name | 2-(2,6-dimethoxyphenyl)acetic acid |
| InChI | InChI=1S/C10H12O4/c1-13-8-4-3-5-9(14-2)7(8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12) |
| InChI Key | QFBYQIUBLBNTDO-UHFFFAOYSA-N |
| MDL Number | MFCD17011092 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | COC1=C(C(=CC=C1)OC)CC(=O)O |
| Synonyms | 2-(2,6-dimethoxyphenyl)acetic acid,
15561-50-9,
SCHEMBL8683168,
(2,6-dimethoxyphenyl)acetic acid,
QFBYQIUBLBNTDO-UHFFFAOYSA-N,
Benzeneacetic acid, 2,6-dimethoxy-,
STL387016,
ZINC13339706,
2,6-DIMETHOXYPHENYLACETIC ACID,
AKOS002392945,
MCULE-1736414613,
NE18126,
Z1405445661,
2,6-Dimethoxyphenylacetate,
944-99-0,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number