| CAS Number | 937601-95-1 |
| Catalog Number | AG00IHSV(AGN-PC-0WAZKS) |
| Chemical Name | Methyl 3-(2-(4-formylphenoxy)ethoxy)benzoate |
| IUPAC Name | methyl 3-[2-(4-formylphenoxy)ethoxy]benzoate |
| InChI | InChI=1S/C17H16O5/c1-20-17(19)14-3-2-4-16(11-14)22-10-9-21-15-7-5-13(12-18)6-8-15/h2-8,11-12H,9-10H2,1H3 |
| InChI Key | VFAYDBUDLWHMLW-UHFFFAOYSA-N |
| MDL Number | MFCD08689774 |
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.3059 |
| SMILES | O=C(OC)C2(=CC(OCCOC1(=CC=C(C=O)C=C1))=CC=C2) |
| Synonyms | 937601-95-1,
Methyl 3-(2-(4-formylphenoxy)ethoxy)benzoate,
Methyl 3-[2-(4-formylphenoxy)ethoxy]benzoate,
methyl 3-[2-(4-formylphenoxy)ethoxy]benzenecarboxylate,
Methyl 3-[2-(4-formylphenoxy)ethoxy]-benzenecarboxylate,
CTK7H9553,
DTXSID10594788,
KS-000025DM,
5961AC,
ANW-55231,
MFCD08689774,
ZINC12336621,
AKOS005072502,
GA-0849,
RTR-064849,
AJ-61022,
TR-064849,
C17H16O5,
Methyl3-(2-(4-formylphenoxy)ethoxy)benzoate,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.31g/mol |
| Monoisotopic Mass | 300.1g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number