| CAS Number | 100191-39-7 |
| Catalog Number | AG01DKLP |
| Chemical Name | 2-Methyl-4,5-dihydrofuran-3-carboxylic acid |
| IUPAC Name | 5-methyl-2,3-dihydrofuran-4-carboxylic acid |
| InChI | InChI=1S/C6H8O3/c1-4-5(6(7)8)2-3-9-4/h2-3H2,1H3,(H,7,8) |
| InChI Key | FFOIBOBGLQIZSB-UHFFFAOYSA-N |
| MDL Number | MFCD08456935 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | CC1OCCC=1C(O)=O |
| Synonyms | 100191-39-7,
2-methyl-4,5-dihydro-furan-3-carboxylic acid,
2-METHYL-4,5-DIHYDROFURAN-3-CARBOXYLICACID,
2-METHYL-4,5-DIHYDROFURAN-3-CARBOXYLIC ACID,
MFCD08456935,
ZINC39319938,
AKOS006291215,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number