| CAS Number | 169892-41-5 |
| Catalog Number | AG01BV0A |
| Chemical Name | 3-(Furan-2-yl)butanoic acid |
| IUPAC Name | 3-(furan-2-yl)butanoic acid |
| InChI | InChI=1S/C8H10O3/c1-6(5-8(9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10) |
| InChI Key | OAYKXVOHCCDXHA-UHFFFAOYSA-N |
| MDL Number | MFCD11172872 |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| SMILES | CC(C1OC=CC=1)CC(O)=O |
| Synonyms | 3-(furan-2-yl)butanoic acid,
169892-41-5,
2-Furanpropanoic acid, beta-methyl-,
SCHEMBL1207891,
AKOS009219892,
3-(2-furyl)butanoic Acid,
CID10441893,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.165g/mol |
| Monoisotopic Mass | 154.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number