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2-(3-Methoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid , CAS No.1218664-35-7
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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 | COC1=CC=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O |
|---|---|
| IUPAC Name | 2-(3-methoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid |
| InChIKey | WZJWIGCQPGNHIA-UHFFFAOYSA-N |
| INCHI | 1S/C18H17NO4/c1-23-15-8-4-7-13(9-15)17(20)19-11-14-6-3-2-5-12(14)10-16(19)18(21)22/h2-9,16H,10-11H2,1H3,(H,21,22) |
| Isomeric SMILES | COC1=CC=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O |
| PubChem CID | 16778824 |
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 | 311.300 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 311.116 Da |
| Monoisotopic Mass | 311.116 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 452.000 |
| 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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