| CAS Number | 1505-47-1 |
| Catalog Number | AG001MNU(AGN-PC-0NEWKE) |
| Chemical Name | 3-THIOPHENEBUTANOIC ACID |
| IUPAC Name | 4-thiophen-3-ylbutanoic acid |
| InChI | InChI=1S/C8H10O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h4-6H,1-3H2,(H,9,10) |
| InChI Key | QICKSFILIHOSPO-UHFFFAOYSA-N |
| MDL Number | MFCD08064092 |
| Molecular Formula | C8H10O2S |
| Molecular Weight | 170.2288 |
| SMILES | OC(CCCC1=CSC=C1)=O |
| Synonyms | 1505-47-1,
4-(3-THIENYL)BUTYRIC ACID,
4-(Thiophen-3-yl)butanoic acid,
3-Thiophenebutanoic acid,
4-thiophen-3-ylbutanoic Acid,
4-(3-thienyl) butyric acid,
4-(3-Thienyl)butanoic Acid,
SCHEMBL600268,
4-thiophen-3-yl-butyric acid,
CTK4C6695,
DTXSID80452942,
QICKSFILIHOSPO-UHFFFAOYSA-N,
MFCD08064092,
ZINC43209715,
AKOS013373141,
AJ-108292,
4-(thien-3-yl)butyric acid,
CID11041143,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.226g/mol |
| Monoisotopic Mass | 170.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number