5-Methylthiophene-2,3-dicarboxylic Acid - CAS 46029-22-5
Catalog: |
BB026059 |
Product Name: |
5-Methylthiophene-2,3-dicarboxylic Acid |
CAS: |
46029-22-5 |
Synonyms: |
5-methylthiophene-2,3-dicarboxylic acid; 5-methylthiophene-2,3-dicarboxylic acid |
IUPAC Name: | 5-methylthiophene-2,3-dicarboxylic acid |
Description: | 5-Methylthiophene-2,3-dicarboxylic Acid (CAS# 46029-22-5) is a useful research chemical. |
Molecular Weight: | 186.19 |
Molecular Formula: | C7H6O4S |
Canonical SMILES: | CC1=CC(=C(S1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C7H6O4S/c1-3-2-4(6(8)9)5(12-3)7(10)11/h2H,1H3,(H,8,9)(H,10,11) |
InChI Key: | QJPLLRMTCIBCFS-UHFFFAOYSA-N |
MDL: | MFCD14705596 |
LogP: | 1.45290 |
GHS Hazard Statement: | H302 (100%): 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 |
US-2009326187-A1 | SYNTHESIS OF THIENO[3,4-b]THIOPHENE, THIENO[3,4-b]FURAN, RELATED COMPOUNDS AND THEIR DERIVATIVES AND USE THEREOF | 20080626 |
US-8168671-B2 | Synthesis of thieno[3,4-b]thiophene, thieno[3,4-b]furan, related compounds and their derivatives and use thereof | 20080626 |
EP-1678218-A1 | Components and catalysts for the polymerization of olefins | 20031028 |
US-2007106039-A1 | Components and catalysts for the polymerization of olefins | 20031028 |
US-7371802-B2 | Components and catalysts for the polymerization of olefins | 20031028 |
Complexity: | 216 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.99867984 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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