| CAS Number | 848606-43-9 |
| Catalog Number | AG004QNH(AGN-PC-0LH0O3) |
| Chemical Name | 2-Ethoxy-5-formylbenzoic acid |
| IUPAC Name | 2-ethoxy-5-formylbenzoic acid |
| InChI | InChI=1S/C10H10O4/c1-2-14-9-4-3-7(6-11)5-8(9)10(12)13/h3-6H,2H2,1H3,(H,12,13) |
| InChI Key | SDCWUCAYRRYQTN-UHFFFAOYSA-N |
| MDL Number | MFCD05625188 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.1840 |
| SMILES | CCOc1ccc(cc1C(=O)O)C=O |
| Synonyms | 2-ethoxy-5-formylbenzoic acid,
848606-43-9,
AC1NHRPD,
ACMC-209px2,
CTK8B2404,
DTXSID10406377,
ZINC8324454,
ANW-37860,
MFCD05625188,
AKOS000294781,
TC-126605,
V7966,
B-9580,
2-ethoxy-5-formyl-benzoic Acid,
C10H10O4,
CID4769998,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.186g/mol |
| Monoisotopic Mass | 194.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number