| CAS Number | 62689-88-7 |
| Catalog Number | AG00F5L0(AGN-PC-0NIKSZ) |
| Chemical Name | 3-Furanacetic acid, Methyl ester |
| IUPAC Name | methyl 2-(furan-3-yl)acetate |
| InChI | InChI=1S/C7H8O3/c1-9-7(8)4-6-2-3-10-5-6/h2-3,5H,4H2,1H3 |
| InChI Key | WDIDUBGASVNQFE-UHFFFAOYSA-N |
| MDL Number | MFCD28668729 |
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.1366 |
| SMILES | O=C(OC)CC1=COC=C1 |
| Synonyms | methyl 2-(furan-3-yl)acetate,
62689-88-7,
3-Furanacetic acid, methyl ester,
methyl (3-furyl)acetate,
Methyl (furan-3-yl)acetate,
SCHEMBL6973055,
CTK2B4263,
DTXSID10489822,
Furan-3-acetic acid methyl ester,
WDIDUBGASVNQFE-UHFFFAOYSA-N,
ZINC39207606,
AKOS033566489,
Z1725236488,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.138g/mol |
| Monoisotopic Mass | 140.047g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number