AG0026IX

17894-26-7 | 2,5-Dimethoxy-3-nitrobenzoic acid

AG0026IX

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CAS Number	17894-26-7
Catalog Number	AG0026IX(AGN-PC-0KK6AR)
Chemical Name	2,5-Dimethoxy-3-nitrobenzoic acid
IUPAC Name	2,5-dimethoxy-3-nitrobenzoic acid
InChI	InChI=1S/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChI Key	QCJROOYLFVYZEP-UHFFFAOYSA-N
MDL Number	MFCD00017022
Molecular Formula	C9H9NO6
Molecular Weight	227.1709
SMILES	O=C(O)C1=CC(OC)=CC([N+]([O-])=O)=C1OC
Synonyms	2,5-Dimethoxy-3-nitrobenzoic acid, 17894-26-7, 2,5-Dimethoxy-3-nitro benzoic acid, Benzoic acid,2,5-dimethoxy-3-nitro-, 2,5-Dimethoxy-3-nitrobenzoicAcid, zlchem 682, ACMC-209ef2, AC1MC04E, AC1Q47GS, SCHEMBL10753545, DTXSID80370071, ZLD0134, ACT05975, KS-000016MD, ZINC2566093, ANW-22956, MFCD00017022, SBB069084, AKOS005151341, VZ22776, ACM17894267, AJ-41227, 2,5-Dimethoxy-3-nitrobenzoic acid, 99%, AX8067683, DB-010152, TC-111701, D2949, FT-0610395, ST50405821, C-57583, J-011413, S04-0052, InChI=1/C9H9NO6/c1-15-5-3-6(9(11)12)8(16-2)7(4-5)10(13)14/h3-4H,1-2H3,(H,11,12, 2,5-dimethoxy-3-nitro-benzoic Acid, CID2733991, 2,5-Dimethoxy-3-nitrobenzoic acid, 98% - 1G 1g,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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