| CAS Number | 1039915-79-1 |
| Catalog Number | AG01AA3U |
| Chemical Name | 5-(4-Propanoylphenoxy)pentanoic acid |
| IUPAC Name | 5-(4-propanoylphenoxy)pentanoic acid |
| InChI | InChI=1S/C14H18O4/c1-2-13(15)11-6-8-12(9-7-11)18-10-4-3-5-14(16)17/h6-9H,2-5,10H2,1H3,(H,16,17) |
| InChI Key | CNCXTAFWDQHHGT-UHFFFAOYSA-N |
| MDL Number | MFCD11542180 |
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.2903 |
| SMILES | CCC(C1=CC=C(OCCCCC(O)=O)C=C1)=O |
| Synonyms | 5-(4-propanoylphenoxy)pentanoic acid,
1039915-79-1,
AC1Q2RNU,
ZINC20474299,
AKOS005882077,
MCULE-5534213573,
NE17923,
EN300-66967,
Z1259162164,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.294g/mol |
| Monoisotopic Mass | 250.121g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number