| CAS Number | 951912-97-3 |
| Catalog Number | AG019N0V |
| Chemical Name | 3-[(thiophen-2-yl)methoxy]benzoic acid |
| IUPAC Name | 3-(thiophen-2-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C12H10O3S/c13-12(14)9-3-1-4-10(7-9)15-8-11-5-2-6-16-11/h1-7H,8H2,(H,13,14) |
| InChI Key | YNKDMGHVBOCDLQ-UHFFFAOYSA-N |
| MDL Number | MFCD09808959 |
| Molecular Formula | C12H10O3S |
| Molecular Weight | 234.2710 |
| SMILES | OC(C1=CC(OCC2SC=CC=2)=CC=C1)=O |
| Synonyms | 3-(thiophen-2-ylmethoxy)benzoic acid,
951912-97-3,
3-(thien-2-ylmethoxy)benzoic acid,
AC1Q733P,
CTK7I8736,
ZINC11945168,
AKOS000166342,
MCULE-1784691164,
NE37243,
3-[(thiophen-2-yl)methoxy]benzoic acid,
EN300-39104,
Z325208556,
Benzoic acid, 3-(2-thienylmethoxy),
|
| Complexity | 244 |
| 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 | 4 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number