| CAS Number | 13101-45-6 |
| Catalog Number | AG000VBV(AGN-PC-0NICNL) |
| Chemical Name | 1-(3-Methylfuran-2-yl)ethanone |
| IUPAC Name | 1-(3-methylfuran-2-yl)ethanone |
| InChI | InChI=1S/C7H8O2/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3 |
| InChI Key | RJBGVAIXGHZIDY-UHFFFAOYSA-N |
| MDL Number | MFCD22392181 |
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.1372 |
| SMILES | CC(C1=C(C)C=CO1)=O |
| Synonyms | 1-(3-methylfuran-2-yl)ethan-1-one,
2-acetyl-3-methylfuran,
13101-45-6,
1-(3-methylfuran-2-yl)ethanone,
Ethanone, 1-(3-methyl-2-furanyl)-,
3-methyl-2-acetylfuran,
SCHEMBL5319584,
CTK0F5588,
DTXSID90484017,
RJBGVAIXGHZIDY-UHFFFAOYSA-N,
ZINC13306796,
AKOS018710471,
MCULE-2878023192,
NE33928,
1-(3-Methyl-2-furanyl)ethanone, 9CI,
Methyl (3-methyl-2-furyl) ketone, 8CI,
Z1446874127,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.139g/mol |
| Monoisotopic Mass | 124.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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