| CAS Number | 272785-31-6 |
| Catalog Number | AG01DDZK(AGN-PC-0WOHQK) |
| Chemical Name | 6-Formyl-3-hydroxy-2-methoxyphenyl acetate |
| IUPAC Name | (6-formyl-3-hydroxy-2-methoxyphenyl) acetate |
| InChI | InChI=1S/C10H10O5/c1-6(12)15-9-7(5-11)3-4-8(13)10(9)14-2/h3-5,13H,1-2H3 |
| InChI Key | LPIRKPUURBAMMR-UHFFFAOYSA-N |
| MDL Number | MFCD13192405 |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.1834 |
| SMILES | C(C=1C(=C(C(=CC1)O)OC)OC(=O)C)=O |
| Synonyms | 6-formyl-3-hydroxy-2-methoxyphenyl acetate,
272785-31-6,
vanilline acetate,
SCHEMBL20455905,
MFCD13192405,
CS-0059754,
Benzaldehyde, 2-(acetyloxy)-4-hydroxy-3-methoxy-,
CID10632232,
(6-formyl-3-hydroxy-2-methoxy-phenyl) Acetate,
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| Complexity | 240 |
| 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 | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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