| CAS Number | 25215-53-6 |
| Catalog Number | AG003TRK(AGN-PC-0R0YFN) |
| Chemical Name | Monobutyl Phthalate Copper(II) Salt |
| IUPAC Name | 2-butoxycarbonylbenzoic acid;copper |
| InChI | InChI=1S/2C12H14O4.Cu/c2*1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14;/h2*4-7H,2-3,8H2,1H3,(H,13,14); |
| InChI Key | WXQNWNSBCISOPI-UHFFFAOYSA-N |
| MDL Number | MFCD00045860 |
| Molecular Formula | C24H28CuO8 |
| Molecular Weight | 508.0203 |
| SMILES | [Cu].CCCCOC(=O)C1=C(C=CC=C1)C(O)=O.CCCCOC(=O)C1=C(C=CC=C1)C(O)=O |
| Synonyms | Monobutyl Phthalate Copper(II) Salt,
25215-53-6,
Kupfer(II)-butylphthalat,
MFCD00045860,
Phthalic acid mono-n-butyl ester cupric salt,
|
| Complexity | 557 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 507.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 508.026g/mol |
| Monoisotopic Mass | 507.108g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number