5-Hexyl-2-thiophenecarboxylic acid - CAS 90619-86-6
Catalog: |
BB039910 |
Product Name: |
5-Hexyl-2-thiophenecarboxylic acid |
CAS: |
90619-86-6 |
Synonyms: |
5-hexylthiophene-2-carboxylic acid |
IUPAC Name: | 5-hexylthiophene-2-carboxylic acid |
Description: | 5-Hexyl-2-thiophenecarboxylic acid (CAS# 90619-86-6) is a useful research chemical. |
Molecular Weight: | 212.31 |
Molecular Formula: | C11H16O2S |
Canonical SMILES: | CCCCCCC1=CC=C(S1)C(=O)O |
InChI: | InChI=1S/C11H16O2S/c1-2-3-4-5-6-9-7-8-10(14-9)11(12)13/h7-8H,2-6H2,1H3,(H,12,13) |
InChI Key: | PZDADHXWGFTYAK-UHFFFAOYSA-N |
LogP: | 3.56910 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019147842-A1 | Liquid crystal composition containing a five-membered heterocyclic ring, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device | 20180124 |
CN-111902519-A | Liquid crystal composition comprising five-membered heterocyclic ring, reverse mode polymer dispersed liquid crystal element and related selectively dimmable device | 20180124 |
US-2020347302-A1 | Liquid crystal composition containing a five-membered heterocyclic ring, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device | 20180124 |
JP-2021512209-A | Liquid crystal compositions containing 5-membered heterocycles, reverse mode polymer dispersed liquid crystal devices, and related selective visualization devices. | 20180124 |
JP-H0625668-A | Liquid crystal composition, liquid crystal element having the same, display method and display device using the same | 19911008 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.08710092 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.08710092 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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Thiophenes
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