4-Allyloxybenzaldehyde - CAS 40663-68-1
Catalog: |
BB024610 |
Product Name: |
4-Allyloxybenzaldehyde |
CAS: |
40663-68-1 |
Synonyms: |
4-prop-2-enoxybenzaldehyde |
IUPAC Name: | 4-prop-2-enoxybenzaldehyde |
Description: | 4-Allyloxybenzaldehyde (CAS# 40663-68-1) is a useful research chemical. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | C=CCOC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C10H10O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6,8H,1,7H2 |
InChI Key: | TYNJQOJWNMZQFZ-UHFFFAOYSA-N |
Boiling Point: | 150-152 °C / 18 mmHg (lit.) |
Density: | 1.058 g/cm3 |
MDL: | MFCD00014133 |
LogP: | 2.06390 |
GHS Hazard Statement: | H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21578792 | 20091111 | (3E,5E)-3,5-Bis(4-allyl-oxybenzyl-idene)-1-benzyl-piperidin-4-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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