| CAS Number | 656226-63-0 |
| Catalog Number | AG00FS3R(AGN-PC-0OFCHW) |
| Chemical Name | 5-(1H-pyrazol-3-yl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(1H-pyrazol-5-yl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C8H6N2O2S/c11-8(12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10)(H,11,12) |
| InChI Key | FMXYBKOCJXQJOV-UHFFFAOYSA-N |
| MDL Number | MFCD08361642 |
| Molecular Formula | C8H6N2O2S |
| Molecular Weight | 194.2104 |
| SMILES | OC(C1SC(C2=NNC=C2)=CC=1)=O |
| Synonyms | 656226-63-0,
5-(1H-Pyrazol-3-yl)-2-thiophenecarboxylic acid,
5-(1H-pyrazol-3-yl)thiophene-2-carboxylic acid,
EC-000.1426,
5-pyrazol-3-ylthiophene-2-carboxylic acid,
SCHEMBL5903720,
CTK5C2927,
DTXSID90590743,
MFCD08361642,
SBB027093,
STL415383,
ZINC22113108,
AKOS005168993,
MCULE-3494830863,
NE23589,
AS-47442,
ST45136259,
5-(1H-pyrazol-5-yl)thiophene-2-carboxylic acid,
Z2510258312,
5- -2-THIOPHENECARBOXYLICACID,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.208g/mol |
| Monoisotopic Mass | 194.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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