Canonical Smiles	CC1=CC(=C(C=C1OC)C(=O)O)[N+](=O)[O-]
IUPAC Name	5-methoxy-4-methyl-2-nitrobenzoic acid
InChIKey	FDHLDEIOCGPPFW-UHFFFAOYSA-N
INCHI	1S/C9H9NO5/c1-5-3-7(10(13)14)6(9(11)12)4-8(5)15-2/h3-4H,1-2H3,(H,11,12)
Isomeric SMILES	CC1=CC(=C(C=C1OC)C(=O)O)[N+](=O)[O-]
PubChem CID	68356670
Molecular Weight	211.17

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

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🔬 Specification Sheet

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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	211.170 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	211.048 Da
Monoisotopic Mass	211.048 Da
Topological Polar Surface Area	92.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	262.000
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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