3-Acetyl-2(5H)-furanone - CAS 80436-91-5
Catalog: |
BB054851 |
Product Name: |
3-Acetyl-2(5H)-furanone |
CAS: |
80436-91-5 |
Synonyms: |
2(5H)-Furanone, 3-acetyl-; 3-acetyl-2(5H)-furanone; 4-acetyl-2H-furan-5-one; 3-Acetylfuran-2(5H)-one; 3-Acetyl-2,5-dihydrofuran-2-one; 3-acetyl-5H-furan-2-one |
IUPAC Name: | 4-acetyl-2H-furan-5-one |
Molecular Weight: | 126.11 |
Molecular Formula: | C6H6O3 |
Canonical SMILES: | CC(=O)C1=CCOC1=O |
InChI: | InChI=1S/C6H6O3/c1-4(7)5-2-3-9-6(5)8/h2H,3H2,1H3 |
InChI Key: | PHNPIVYZHIPNHN-UHFFFAOYSA-N |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.031694049 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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