2-(Tetrahydrofuran-3-yl)acetaldehyde - CAS 1072-94-2
Catalog: |
BB076749 |
Product Name: |
2-(Tetrahydrofuran-3-yl)acetaldehyde |
CAS: |
1072-94-2 |
Synonyms: |
Tetrahydro-3-furanacetaldehyde |
IUPAC Name: | 2-(oxolan-3-yl)acetaldehyde |
Description: | 2-(Tetrahydrofuran-3-yl)acetaldehyde is used in the preparation of piperidinylthiophenecarboxylic acid derivatives as inhibitors of hepatitis C, as well as pyrrolidones showing anti-HIV activity. |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | C1COCC1CC=O |
InChI: | InChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2 |
InChI Key: | LWVRZPPVMAXVMJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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