| CAS Number | 856357-86-3 |
| Catalog Number | AG01AITS |
| Chemical Name | 2-(2-Formyl-5-methoxyphenoxy)acetic acid |
| IUPAC Name | 2-(2-formyl-5-methoxyphenoxy)acetic acid |
| InChI | InChI=1S/C10H10O5/c1-14-8-3-2-7(5-11)9(4-8)15-6-10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChI Key | SWNDMJNDLFDYQW-UHFFFAOYSA-N |
| MDL Number | MFCD09673328 |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.1834 |
| SMILES | COC1=CC(=C(C=C1)C=O)OCC(=O)O |
| Synonyms | 2-(2-formyl-5-methoxyphenoxy)acetic acid,
856357-86-3,
(2-formyl-5-methoxyphenoxy)acetic acid,
SCHEMBL7840891,
SWNDMJNDLFDYQW-UHFFFAOYSA-N,
BBL026474,
STL373991,
ZINC13609095,
AKOS000103432,
MCULE-3636217467,
2-(Carboxymethoxy)-4-methoxybenzaldehyde,
EN300-78984,
J3.554.887D,
2-(2-formyl-5-methoxyphenoxy)acetic acid, AldrichCPR,
H0269,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.185g/mol |
| Monoisotopic Mass | 210.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number