| CAS Number | 832740-89-3 |
| Catalog Number | AG00JEAE(AGN-PC-0WB98D) |
| Chemical Name | 5-[(4-methylphenoxy)methyl]furan-2-carboxylic acid |
| IUPAC Name | 5-[(4-methylphenoxy)methyl]furan-2-carboxylic acid |
| InChI | InChI=1S/C13H12O4/c1-9-2-4-10(5-3-9)16-8-11-6-7-12(17-11)13(14)15/h2-7H,8H2,1H3,(H,14,15) |
| InChI Key | DHFHOLRIPOTVQX-UHFFFAOYSA-N |
| MDL Number | MFCD03421871 |
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.2320 |
| SMILES | CC1=CC=C(OCC2OC(C(O)=O)=CC=2)C=C1 |
| Synonyms | 5-[(4-methylphenoxy)methyl]-2-furoic acid,
832740-89-3,
5-[(4-methylphenoxy)methyl]furan-2-carboxylic acid,
5-(4-methylphenoxymethyl)furan-2-carboxylic acid,
AC1NFDUF,
AC1Q2MSY,
CTK6B8896,
ZINC2521383,
MFCD03421871,
SBB020748,
STK317805,
AKOS000200736,
MCULE-1573246907,
NE56454,
NS-03022,
ST45092459,
EN300-28828,
Z235362691,
CID4682005,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.235g/mol |
| Monoisotopic Mass | 232.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number