| CAS Number | 1155071-55-8 |
| Catalog Number | AG01AGP0 |
| Chemical Name | 2-[(4-Formylphenoxy)methyl]furan-3-carboxylic Acid |
| IUPAC Name | 2-[(4-formylphenoxy)methyl]furan-3-carboxylic acid |
| InChI | InChI=1S/C13H10O5/c14-7-9-1-3-10(4-2-9)18-8-12-11(13(15)16)5-6-17-12/h1-7H,8H2,(H,15,16) |
| InChI Key | LLPYZPOQHKWXFH-UHFFFAOYSA-N |
| MDL Number | MFCD12072646 |
| Molecular Formula | C13H10O5 |
| Molecular Weight | 246.2155 |
| SMILES | OC(C1=C(COC2=CC=C(C=O)C=C2)OC=C1)=O |
| Synonyms | 2-(4-formylphenoxymethyl)furan-3-carboxylic acid,
1155071-55-8,
AC1Q72A4,
SCHEMBL15332552,
ZINC35432648,
AKOS009517335,
MCULE-8132323236,
NE48096,
EN300-72470,
2-[(4-formylphenoxy)methyl]furan-3-carboxylic acid,
2-(4-formylphenoxymethyl)furan-3-carboxylic acid, AldrichCPR,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.218g/mol |
| Monoisotopic Mass | 246.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number