| CAS Number | 847480-87-9 |
| Catalog Number | AG01FOAY(AGN-PC-0WBWJO) |
| Chemical Name | 5-Oxo-5-(3-phenylpropoxy)pentanoicacid |
| IUPAC Name | 5-oxo-5-(3-phenylpropoxy)pentanoic acid |
| InChI | InChI=1S/C14H18O4/c15-13(16)9-4-10-14(17)18-11-5-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16) |
| InChI Key | FHZZJODNIQXLLC-UHFFFAOYSA-N |
| MDL Number | MFCD06447082 |
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.2903 |
| SMILES | C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)O |
| Synonyms | 5-oxo-5-(3-phenylpropoxy)pentanoic Acid,
4-[(3-phenylpropyl)oxycarbonyl]butanoic acid,
AC1NGRJ8,
ARONIS009762,
CTK7J3284,
BBB/250,
KS-000041AP,
ZX-AS003489,
SBB079966,
STL065241,
ZINC12293900,
AKOS000319506,
MCULE-2108020759,
NCGC00326193-01,
847480-87-9,
BB0286738,
TR-048058,
ST45046502,
Z-0942,
AB01320647-02,
CID4778879,
|
| Complexity | 257 |
| 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 | 9 |
| 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