| CAS Number | 36873-96-8 |
| Catalog Number | AG00CL85(AGN-PC-0NEJVM) |
| Chemical Name | 2,3,5-Trimethoxybenzoic acid |
| IUPAC Name | 2,3,5-trimethoxybenzoic acid |
| InChI | InChI=1S/C10H12O5/c1-13-6-4-7(10(11)12)9(15-3)8(5-6)14-2/h4-5H,1-3H3,(H,11,12) |
| InChI Key | SRLTVIITBRPPCB-UHFFFAOYSA-N |
| MDL Number | MFCD19302402 |
| Molecular Formula | C10H12O5 |
| Molecular Weight | 212.1993 |
| SMILES | O=C(O)C1=CC(OC)=CC(OC)=C1OC |
| Synonyms | 2,3,5-trimethoxybenzoic Acid,
36873-96-8,
2,3,5-Trimethoxy-benzoic acid,
SCHEMBL4847814,
MFCD19302402,
ZINC62721294,
ACN-034323,
CID11020198,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.201g/mol |
| Monoisotopic Mass | 212.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number