Canonical Smiles	COC1=CC=CC2=C1C=C(C=N2)C#N
IUPAC Name	5-methoxyquinoline-3-carbonitrile
InChIKey	RCTBBAUFMPEBPE-UHFFFAOYSA-N
INCHI	1S/C11H8N2O/c1-14-11-4-2-3-10-9(11)5-8(6-12)7-13-10/h2-5,7H,1H3
Isomeric SMILES	COC1=CC=CC2=C1C=C(C=N2)C#N
PubChem CID	23159728
Molecular Weight	184.19

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	184.190 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	184.064 Da
Monoisotopic Mass	184.064 Da
Topological Polar Surface Area	45.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	245.000
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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