| CAS Number | 24647-82-3 |
| Catalog Number | AG002OWY(AGN-PC-04147U) |
| Chemical Name | Methyl 2-formylthiophene-3-carboxylate |
| IUPAC Name | methyl 2-formylthiophene-3-carboxylate |
| InChI | InChI=1S/C7H6O3S/c1-10-7(9)5-2-3-11-6(5)4-8/h2-4H,1H3 |
| InChI Key | ADAAURCEFZTYJX-UHFFFAOYSA-N |
| MDL Number | MFCD01859943 |
| Molecular Formula | C7H6O3S |
| Molecular Weight | 170.1857 |
| SMILES | O=C(C1=C(C=O)SC=C1)OC |
| Synonyms | Methyl 2-formylthiophene-3-carboxylate,
24647-82-3,
3-Thiophenecarboxylic acid, 2-formyl-, methyl ester,
SCHEMBL8464477,
CTK0J4701,
DTXSID00631712,
MFCD01859943,
ZINC95830077,
AKOS022173750,
AS-48585,
DA-43083,
AJ-134219,
FT-0721691,
2-Formyl-3-thiophenecarboxylic acid methyl ester,
2-Formyl-3-thiophenecarboxylicacidmethylester,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.182g/mol |
| Monoisotopic Mass | 170.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number