| CAS Number | 78071-34-8 |
| Catalog Number | AG0055F8(AGN-PC-07ACL5) |
| Chemical Name | 4-Cyanothiophene-3-carboxylic acid |
| IUPAC Name | 4-cyanothiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H3NO2S/c7-1-4-2-10-3-5(4)6(8)9/h2-3H,(H,8,9) |
| InChI Key | CGTPGBPWMGOBEY-UHFFFAOYSA-N |
| MDL Number | MFCD01859850 |
| Molecular Formula | C6H3NO2S |
| Molecular Weight | 153.1585 |
| SMILES | C(#N)C=1C(=CSC1)C(=O)O |
| Synonyms | 4-cyanothiophene-3-carboxylic acid,
78071-34-8,
3-Thiophenecarboxylicacid, 4-cyano-,
CTK2H5944,
DTXSID10665700,
4-Cyano-thiophene-3-carboxylic acid,
MFCD01859850,
ZINC39066338,
AKOS006275970,
Z2216303049,
3-Thiophenecarboxylic acid, 4-cyano- (9CI),
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.155g/mol |
| Monoisotopic Mass | 152.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number