| CAS Number | 10035-38-8 |
| Catalog Number | AG00IW66(AGN-PC-0WAXSE) |
| Chemical Name | 5-Formyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 5-formyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C10H6O4/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-5H,(H,12,13) |
| InChI Key | YRNPPKSMEYNYAF-UHFFFAOYSA-N |
| MDL Number | MFCD11501721 |
| Molecular Formula | C10H6O4 |
| Molecular Weight | 190.1522 |
| SMILES | OC(C1OC2=C(C=C(C=C2)C=O)C=1)=O |
| Synonyms | 5-formyl-1-benzofuran-2-carboxylic acid,
10035-38-8,
SCHEMBL2332320,
KS-000021WM,
ZINC22996450,
AKOS005106613,
AA-0864,
MCULE-8896952204,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.154g/mol |
| Monoisotopic Mass | 190.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number