AG003KI7

4998-07-6 | 4,5-Dimethoxy-2-nitrobenzoic acid

AG003KI7

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CAS Number	4998-07-6
Catalog Number	AG003KI7(AGN-PC-0BXADG)
Chemical Name	4,5-Dimethoxy-2-nitrobenzoic acid
EC Number	225-657-2
IUPAC Name	4,5-dimethoxy-2-nitrobenzoic acid
InChI	InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)
InChI Key	WWCMFGBGMJAJRX-UHFFFAOYSA-N
MDL Number	MFCD00014697
Molecular Formula	C9H9NO6
Molecular Weight	227.1709
SMILES	O=C(O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O
Synonyms	4,5-Dimethoxy-2-nitrobenzoic acid, 4998-07-6, 6-Nitroveratric acid, 3,4-Dimethoxy-6-nitrobenzoic acid, Benzoic acid, 4,5-dimethoxy-2-nitro-, WWCMFGBGMJAJRX-UHFFFAOYSA-N, MFCD00014697, 4,5-Dimethoxy-2-nitrobenzoic acid, 99%, 499-87-6, zlchem 681, AC1L2VRV, ACMC-2097gn, AC1Q1YS9, KSC496I5R, SCHEMBL375897, AC1Q46I7, CTK3J6458, KS-00000CZD, DTXSID90198162, ZLD0133, 4,5-Dimethoxy-2-nitrobenzoicAcid, 2-nitro-4,5-dimethoxybenzoic acid, CS-D1437, EBD29303, ZINC1081136, EINECS 225-657-2, 4,5-dimethoxy-2-nitro-benzoic acid, ANW-13941, BBL012250, CD0115, SBB063305, STL163574, TD1281, AKOS000120624, AC-4249, AM90262, AS02500, CM12698, GS-3023, MCULE-2568631636, RP27700, TRA0026809, AJ-24897, AK-40888, BC227204, SC-18583, SY033871, DB-021911, RT-003028, ST2417896, TL8003316, D2628, FT-0621282, ST45027533, EN300-20736, MFCD00014697 (98%), 98D076, M-1877, I01-1213, W-105998, F0191-4929, Z271004634, InChI=1/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12, 6-nitro Veratric Acid, C9H9NO6, CID78690, AR-1F8402, 4,5-Dimethoxy-2-nitrobenzoic acid, 98% - 25G 25g, 3,6-Dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyran, 5296-07-1,

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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