4-Acetoxybenzaldehyde - CAS 878-00-2
Catalog: |
BB038639 |
Product Name: |
4-Acetoxybenzaldehyde |
CAS: |
878-00-2 |
Synonyms: |
(4-formylphenyl) acetate |
IUPAC Name: | (4-formylphenyl) acetate |
Description: | 4-Acetoxybenzaldehyde (CAS# 878-00-2) is a useful research chemical. |
Molecular Weight: | 164.16 |
Molecular Formula: | C9H8O3 |
Canonical SMILES: | CC(=O)OC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3 |
InChI Key: | SEVSMVUOKAMPDO-UHFFFAOYSA-N |
Boiling Point: | 275 °C at 760 mmHg |
Density: | 1.168 g/cm3 |
MDL: | MFCD00003384 |
LogP: | 1.42440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336645-A | Method for synthesizing p-acetoxystyrene by one-pot method | 20201228 |
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PMID | Publication Date | Title | Journal |
22904943 | 20120801 | 4-{[8-(4-Acetyl-oxybenzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl]carbon-yl}phenyl acetate | Acta crystallographica. Section E, Structure reports online |
15917896 | 20050607 | Synthesis and characterization of a novel functionalized azanonaborane cluster for boron neutron capture therapy | Organic & biomolecular chemistry |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.047344113 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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