5-(Methoxycarbonyl)-2-thiophenecarboxylic Acid - CAS 50340-79-9
Catalog: |
BB027012 |
Product Name: |
5-(Methoxycarbonyl)-2-thiophenecarboxylic Acid |
CAS: |
50340-79-9 |
Synonyms: |
5-methoxycarbonyl-2-thiophenecarboxylic acid; 5-methoxycarbonylthiophene-2-carboxylic acid |
IUPAC Name: | 5-methoxycarbonylthiophene-2-carboxylic acid |
Description: | 5-(Methoxycarbonyl)-2-thiophenecarboxylic Acid (CAS# 50340-79-9) is a useful research chemical. |
Molecular Weight: | 186.19 |
Molecular Formula: | C7H6O4S |
Canonical SMILES: | COC(=O)C1=CC=C(S1)C(=O)O |
InChI: | InChI=1S/C7H6O4S/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9) |
InChI Key: | HYHZGBOWRWIEGW-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD01203161 |
LogP: | 1.23290 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112457523-A | High-stability and high-plasticity composite PVC (polyvinyl chloride) processing aid and preparation method thereof | 20201218 |
CN-110627801-A | HDAC inhibitor and application thereof | 20191017 |
CN-110627801-B | HDAC inhibitor and application thereof | 20191017 |
CN-110041600-A | A kind of PVC processing composite assistant and preparation method thereof | 20190430 |
CN-110041600-B | Composite additive for PVC processing and preparation method thereof | 20190430 |
PMID | Publication Date | Title | Journal |
21580038 | 20091216 | 5-(Methoxy-carbon-yl)thio-phene-2-carboxylic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.99867984 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.99867984 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 91.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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