AG0039LJ

27883-60-9 | Methyl 4-hydroxy-5-methoxy-2-nitrobenzoate

AG0039LJ

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CAS Number	27883-60-9
Catalog Number	AG0039LJ(AGN-PC-0436UL)
Chemical Name	Methyl 4-hydroxy-5-methoxy-2-nitrobenzoate
IUPAC Name	methyl 4-hydroxy-5-methoxy-2-nitrobenzoate
InChI	InChI=1S/C9H9NO6/c1-15-8-3-5(9(12)16-2)6(10(13)14)4-7(8)11/h3-4,11H,1-2H3
InChI Key	SKKNLIAUOSEGNQ-UHFFFAOYSA-N
MDL Number	MFCD09833001
Molecular Formula	C9H9NO6
Molecular Weight	227.1709
SMILES	OC1=CC(=C(C(=O)OC)C=C1OC)[N+](=O)[O-]
Synonyms	methyl 4-hydroxy-5-methoxy-2-nitrobenzoate, 27883-60-9, 4-HYDROXY-5-METHOXY-2-NITRO-BENZOIC ACID METHYL ESTER, AK164349, 4-Hydroxy-5-methoxy-2-nitrobenzoic acid methyl ester, SCHEMBL5256629, CTK6I9431, DTXSID10634133, KS-00000SS9, MFCD09833001, SBB097102, ZINC22008499, AKOS015851460, AS-5223, CS-W007167, MB07764, OR346191, AX8295051, TR-072084, ST24047928, 2-Nitro-4-hydroxy-5-methoxybenzoic acid methyl ester, Benzoic acid, 4-hydroxy-3-methoxy-6-nitro-, methyl ester, Methyl 4-hydroxy-5-methoxy-2-nitro-benzoate,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.043g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.172g/mol
Monoisotopic Mass	227.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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