5,6-Dihydro-2H-pyran-3-carbaldehyde - CAS 13417-49-7
Catalog: |
BB007884 |
Product Name: |
5,6-Dihydro-2H-pyran-3-carbaldehyde |
CAS: |
13417-49-7 |
Synonyms: |
3,6-dihydro-2H-pyran-5-carboxaldehyde; 3,6-dihydro-2H-pyran-5-carbaldehyde |
IUPAC Name: | 3,6-dihydro-2H-pyran-5-carbaldehyde |
Description: | 5,6-Dihydro-2H-pyran-3-carbaldehyde (CAS# 13417-49-7) is a useful synthetic intermediate and a derivative of acrolein (A191200); a compound well-known for its use in the synthesis of acrylic acid. |
Molecular Weight: | 112.13 |
Molecular Formula: | C6H8O2 |
Canonical SMILES: | C1COCC(=C1)C=O |
InChI: | InChI=1S/C6H8O2/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2 |
InChI Key: | RKXCKEHBMLDWET-UHFFFAOYSA-N |
Boiling Point: | 201.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.175 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD08146636 |
LogP: | 0.53200 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112979420-A | Method for purifying 1, 3-propylene glycol | 20210303 |
US-2017340581-A1 | Compounds and methods of treating ocular disorders | 20141124 |
US-2020129453-A1 | Compounds and methods of treating ocular disorders | 20141124 |
WO-2016085939-A2 | Compounds and methods of treating ocular disorders | 20141124 |
US-11013700-B2 | Compounds and methods of treating ocular disorders | 20141124 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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