| CAS Number | 66873-89-0 |
| Catalog Number | AG01EHA0(AGN-PC-3H45F8) |
| Chemical Name | 5-Ethyl-2-methoxybenzoic acid |
| IUPAC Name | 5-ethyl-2-methoxybenzoic acid |
| InChI | InChI=1S/C10H12O3/c1-3-7-4-5-9(13-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12) |
| InChI Key | ICNRRZRXHDBVTG-UHFFFAOYSA-N |
| MDL Number | MFCD18412003 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | CCC1=CC(C(O)=O)=C(OC)C=C1 |
| Synonyms | 5-ethyl-2-methoxybenzoic acid,
66873-89-0,
SCHEMBL384685,
ICNRRZRXHDBVTG-UHFFFAOYSA-N,
ZINC71464015,
FT-0745362,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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