| CAS Number | 174884-10-7 |
| Catalog Number | AG01A7P8(AGN-PC-010LD0) |
| Chemical Name | 4-(3-Formylphenoxy)butanoic acid |
| IUPAC Name | 4-(3-formylphenoxy)butanoic acid |
| InChI | InChI=1S/C11H12O4/c12-8-9-3-1-4-10(7-9)15-6-2-5-11(13)14/h1,3-4,7-8H,2,5-6H2,(H,13,14) |
| InChI Key | QHLKXVXBJDXSHQ-UHFFFAOYSA-N |
| MDL Number | MFCD09673366 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | OC(CCCOC1=CC(C=O)=CC=C1)=O |
| Synonyms | 4-(3-formylphenoxy)butanoic acid,
174884-10-7,
AC1Q75J5,
SCHEMBL2559872,
CTK7H9923,
QHLKXVXBJDXSHQ-UHFFFAOYSA-N,
4-(3-formyl-phenoxy)-butyric acid,
BBL025647,
STL373998,
ZINC13609303,
AKOS000104218,
MCULE-3530344284,
H2497,
EN300-59413,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.213g/mol |
| Monoisotopic Mass | 208.074g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number