| CAS Number | 24867-04-7 |
| Catalog Number | AG01AHZR |
| Chemical Name | 2-[(4-chlorophenyl)methyl]pentanedioic acid |
| IUPAC Name | 2-[(4-chlorophenyl)methyl]pentanedioic acid |
| InChI | InChI=1S/C12H13ClO4/c13-10-4-1-8(2-5-10)7-9(12(16)17)3-6-11(14)15/h1-2,4-5,9H,3,6-7H2,(H,14,15)(H,16,17) |
| InChI Key | WRYLMBSIVXCOPU-UHFFFAOYSA-N |
| MDL Number | MFCD09835777 |
| Molecular Formula | C12H13ClO4 |
| Molecular Weight | 256.6822 |
| SMILES | OC(CCC(C(O)=O)CC1=CC=C(Cl)C=C1)=O |
| Synonyms | 2-[(4-chlorophenyl)methyl]pentanedioic acid,
24867-04-7,
2-p-Chlorbenzylglutarsaeure,
AKOS029588923,
MCULE-9202061433,
NE46334,
EN300-76278,
Z1270387230,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.682g/mol |
| Monoisotopic Mass | 256.05g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number