| CAS Number | 64603-71-0 |
| Catalog Number | AG01A857(AGN-PC-01KX6D) |
| Chemical Name | 3-(2-Formylphenoxy)propanoic acid |
| IUPAC Name | 3-(2-formylphenoxy)propanoic acid |
| InChI | InChI=1S/C10H10O4/c11-7-8-3-1-2-4-9(8)14-6-5-10(12)13/h1-4,7H,5-6H2,(H,12,13) |
| InChI Key | AZDHETRMCZUOPG-UHFFFAOYSA-N |
| MDL Number | MFCD11557064 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.1840 |
| SMILES | OC(CCOC1=C(C=O)C=CC=C1)=O |
| Synonyms | 3-(2-formylphenoxy)propanoic acid,
64603-71-0,
AC1Q75P8,
SCHEMBL2557964,
CTK1I4775,
DTXSID00589805,
ZINC8732282,
AKOS002681596,
Propanoic acid, 3-(2-formylphenoxy)-,
EN300-60759,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.186g/mol |
| Monoisotopic Mass | 194.058g/mol |
| Rotatable Bond Count | 5 |
| 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
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Certificate of Analysis
Lot Number