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3-(4-Chlorophenyl)-4-methylpentanoic acid , CAS No.126275-16-9
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | CC(C)C(CC(=O)O)C1=CC=C(C=C1)Cl |
|---|---|
| IUPAC Name | 3-(4-chlorophenyl)-4-methylpentanoic acid |
| InChIKey | VGSILRGEYUUGBL-UHFFFAOYSA-N |
| INCHI | 1S/C12H15ClO2/c1-8(2)11(7-12(14)15)9-3-5-10(13)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,14,15) |
| Isomeric SMILES | CC(C)C(CC(=O)O)C1=CC=C(C=C1)Cl |
| PubChem CID | 16394755 |
| Molecular Weight | 226.7 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 226.700 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 226.076 Da |
| Monoisotopic Mass | 226.076 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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