| CAS Number | 1261969-21-4 |
| Catalog Number | AG000S92(AGN-PC-0WABIB) |
| Chemical Name | 5-Methoxy-3-(thiophen-3-yl)benzoic acid |
| IUPAC Name | 3-methoxy-5-thiophen-3-ylbenzoic acid |
| InChI | InChI=1S/C12H10O3S/c1-15-11-5-9(8-2-3-16-7-8)4-10(6-11)12(13)14/h2-7H,1H3,(H,13,14) |
| InChI Key | CZLWEVLOUKCJJZ-UHFFFAOYSA-N |
| MDL Number | MFCD18318893 |
| Molecular Formula | C12H10O3S |
| Molecular Weight | 234.2710 |
| SMILES | COc1cc(cc(c1)C(=O)O)c1ccsc1 |
| Synonyms | 1261969-21-4,
3-Methoxy-5-(thiophen-3-yl)benzoic acid,
5-METHOXY-3-(THIOPHEN-3-YL)BENZOIC ACID,
ACMC-209b8g,
CTK8A9841,
DTXSID00688569,
5142AA,
ANW-18830,
MFCD18318893,
ZINC65349435,
AKOS015888696,
Benzoic acid, 3-methoxy-5-(3-thienyl)-,
AJ-115381,
AX8243308,
TC-107575,
A-2784,
I01-11573,
C12H10O3S,
3-Methoxy-5-(thiophen-3-yl)benzoicacid,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.269g/mol |
| Monoisotopic Mass | 234.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number