3-(Prop-2-yn-1-yloxy)benzaldehyde - CAS 5651-87-6
Catalog: |
BB029384 |
Product Name: |
3-(Prop-2-yn-1-yloxy)benzaldehyde |
CAS: |
5651-87-6 |
Synonyms: |
3-prop-2-ynoxybenzaldehyde |
IUPAC Name: | 3-prop-2-ynoxybenzaldehyde |
Description: | 3-(Prop-2-yn-1-yloxy)benzaldehyde (CAS# 5651-87-6) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C10H8O2 |
Canonical SMILES: | C#CCOC1=CC=CC(=C1)C=O |
InChI: | InChI=1S/C10H8O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7-8H,6H2 |
InChI Key: | CYAQTWGCPCRKJT-UHFFFAOYSA-N |
Boiling Point: | 286 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.128 g/cm3 |
MDL: | MFCD05625818 |
LogP: | 1.51110 |
Publication Number | Title | Priority Date |
CN-111187279-A | Glaucocalyxin A-biotin small molecular probe and preparation method and application thereof | 20200116 |
AU-2017382360-A1 | Compounds, compositions and methods of use | 20161223 |
CA-3047404-A1 | Compounds, compositions and methods of use | 20161223 |
EP-3557998-A1 | Compouns, compositions and methods of use | 20161223 |
JP-2020503314-A | Compounds, compositions, and methods of use | 20161223 |
PMID | Publication Date | Title | Journal |
12929426 | 20030121 | Synthesis of meso-substituted porphyrins carrying carboranes and oligo(ethylene glycol) units for potential applications in boron neutron capture therapy | Organic & biomolecular chemistry |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.052429494 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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