2-Ethynylphenol - CAS 5101-44-0
Catalog: |
BB043161 |
Product Name: |
2-Ethynylphenol |
CAS: |
5101-44-0 |
Synonyms: |
2-Ethynyl-phenol; Phenol, 2-ethynyl-; o-Hydroxyphenylacetylene; (2-Hydroxyphenyl)acetylene |
IUPAC Name: | 2-ethynylphenol |
Description: | 2-Ethynylphenol (CAS# 5101-44-0 ) is a useful research chemical. |
Molecular Weight: | 118.13 |
Molecular Formula: | C8H6O |
Canonical SMILES: | C#CC1=CC=CC=C1O |
InChI: | InChI=1S/C8H6O/c1-2-7-5-3-4-6-8(7)9/h1,3-6,9H |
InChI Key: | KTLQDZRFPKXZSB-UHFFFAOYSA-N |
Boiling Point: | 200.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.12 g/cm3 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.041864811 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.041864811 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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