3-Ethynylbenzaldehyde - CAS 77123-56-9
Catalog: |
BB035808 |
Product Name: |
3-Ethynylbenzaldehyde |
CAS: |
77123-56-9 |
Synonyms: |
3-ethynylbenzaldehyde |
IUPAC Name: | 3-ethynylbenzaldehyde |
Description: | 3-Ethynylbenzaldehyde (CAS# 77123-56-9) is a useful research chemical. |
Molecular Weight: | 130.14 |
Molecular Formula: | C9H6O |
Canonical SMILES: | C#CC1=CC(=CC=C1)C=O |
InChI: | InChI=1S/C9H6O/c1-2-8-4-3-5-9(6-8)7-10/h1,3-7H |
InChI Key: | IGIUWNVGCVCNPV-UHFFFAOYSA-N |
Boiling Point: | 229.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.07 g/cm3 |
Appearance: | White to beige to yellow powder or crystals |
MDL: | MFCD06245349 |
LogP: | 1.48040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021187599-A1 | Composition, method for forming resist underlayer film, and method for forming resist pattern | 20200319 |
WO-2021086785-A1 | Bifunctional compounds | 20191028 |
WO-2021054337-A1 | Composition, resist underlayer film, method for forming resist underlayer film, method for producing patterned substrate, and compound | 20190917 |
WO-2020251971-A1 | Smarca degraders and uses thereof | 20190610 |
WO-2020223672-A1 | Functionalized cyclic polymers and methods of preparing same | 20190501 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.041864811 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.041864811 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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