4-Acetoxy-3-methoxycinnamaldehyde, predominantly trans - CAS 83071-67-4
Catalog: |
BB036962 |
Product Name: |
4-Acetoxy-3-methoxycinnamaldehyde, predominantly trans |
CAS: |
83071-67-4 |
Synonyms: |
[2-methoxy-4-[(E)-3-oxoprop-1-enyl]phenyl] acetate |
IUPAC Name: | [2-methoxy-4-[(E)-3-oxoprop-1-enyl]phenyl] acetate |
Description: | 4-Acetoxy-3-methoxycinnamaldehyde, predominantly trans (CAS# 83071-67-4) is a useful research chemical. |
Molecular Weight: | 220.22 |
Molecular Formula: | C12H12O4 |
Canonical SMILES: | CC(=O)OC1=C(C=C(C=C1)C=CC=O)OC |
InChI: | InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+ |
InChI Key: | VEKAJHBFBMWJKI-ONEGZZNKSA-N |
Density: | >0 (vs air) |
MDL: | MFCD00239339 |
LogP: | 1.83260 |
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 |
WO-2021045879-A1 | Synthesis of deuterated aldehydes | 20190903 |
FR-3080627-A1 | ADHESIVE COMPOSITION FOR TEXTILE AND REINFORCING TEXTILE | 20180426 |
WO-2019207141-A1 | Adherence-improving composition for textile material and associated reinforcing textile material | 20180426 |
CN-112135862-A | Composition for improving the adhesion of textile materials and related reinforced textile materials | 20180426 |
EP-3784719-A1 | Adherence-improving composition for textile material and associated reinforcing textile material | 20180426 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 220.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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