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ethyl 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylate , CAS No.1342645-87-7
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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 | CCOC(=O)C1=NNC(=N1)C2CC2 |
|---|---|
| IUPAC Name | ethyl 5-cyclopropyl-1H-1,2,4-triazole-3-carboxylate |
| InChIKey | FXEFIXLGZNDYLD-UHFFFAOYSA-N |
| INCHI | 1S/C8H11N3O2/c1-2-13-8(12)7-9-6(10-11-7)5-3-4-5/h5H,2-4H2,1H3,(H,9,10,11) |
| Isomeric SMILES | CCOC(=O)C1=NNC(=N1)C2CC2 |
| PubChem CID | 63356061 |
| Molecular Weight | 181.19 |
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 | 181.190 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 181.085 Da |
| Monoisotopic Mass | 181.085 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 206.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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