4-Ethynylbenzoic acid - CAS 10602-00-3
Catalog: |
BB001756 |
Product Name: |
4-Ethynylbenzoic acid |
CAS: |
10602-00-3 |
Synonyms: |
4-ethynylbenzoic acid |
IUPAC Name: | 4-ethynylbenzoic acid |
Description: | 4-Ethynylbenzoic acid (CAS# 10602-00-3) is a useful research chemical. |
Molecular Weight: | 146.14 |
Molecular Formula: | C9H6O2 |
Canonical SMILES: | C#CC1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11) |
InChI Key: | SJXHLZCPDZPBPW-UHFFFAOYSA-N |
Boiling Point: | 277.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.23 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00168819 |
LogP: | 1.36610 |
GHS Hazard Statement: | H302 (95.24%): 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 |
CN-113433112-A | Surface property controllable SERS substrate for Raman spectrum detection and preparation method and application thereof | 20210625 |
CN-112979485-A | Application of 3A type molecular sieve in synthesis of N- (4-acetylene benzene carbonyl) amino acid ester | 20210325 |
CN-111825800-A | Spiral polyphenylacetylene derivative with self-assembly characteristic, assembly and preparation method thereof | 20200608 |
EP-3896114-A1 | Novel compound, polyimide resin and method of producing the same, photosensitive resin composition, patterning method and method of forming cured film, interlayer insulating film, surface protective film, and electronic component | 20200414 |
EP-3896521-A1 | Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component | 20200414 |
PMID | Publication Date | Title | Journal |
18278780 | 20080307 | Helicity induction and memory of the macromolecular helicity in a polyacetylene bearing a biphenyl pendant | Chemistry, an Asian journal |
19325756 | 20080301 | Synthesis and characterization of polyacetylene with side-chain thiophene functionality | International journal of molecular sciences |
15053623 | 20040407 | Mechanism of helix induction on a stereoregular Poly((4-carboxyphenyl)acetylene) with chiral amines and memory of the macromolecular helicity assisted by interaction with achiral amines | Journal of the American Chemical Society |
12603139 | 20030305 | Chiral stimuli-responsive gels: helicity induction in poly(phenylacetylene) gels bearing a carboxyl group with chiral amines | Journal of the American Chemical Society |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.036779430 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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