AG00CIR8

40751-89-1 | 2-Methoxy-5-nitrobenzoic acid

AG00CIR8

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CAS Number	40751-89-1
Catalog Number	AG00CIR8(AGN-PC-0JP7BA)
Chemical Name	2-Methoxy-5-nitrobenzoic acid
IUPAC Name	2-methoxy-5-nitrobenzoic acid
InChI	InChI=1S/C8H7NO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	CVZUPRDSNNBZLH-UHFFFAOYSA-N
MDL Number	MFCD00527902
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	139931
SMILES	COC1=C(C=C(C=C1)[N+]([O-])=O)C(O)=O
Synonyms	2-Methoxy-5-nitrobenzoic acid, 40751-89-1, 2-Methoxy-5-nitro-benzoic acid, CVZUPRDSNNBZLH-UHFFFAOYSA-N, MFCD00527902, benzoic acid, 2-methoxy-5-nitro-, NSC139931, AC1Q1ZMJ, AC1Q44RT, AC1L608L, SCHEMBL1671926, 2-methoxy-5-nitro benzoic acid, CTK1D8613, DTXSID30300904, ZINC571005, ANW-57797, BBL035691, STK498307, AKOS000112213, AB06422, AM83230, MCULE-3427387093, NSC-139931, RP25516, KS-00000N49, AJ-23565, AK-39381, DS-13174, SC-42629, AB0034008, DB-070080, ST2417018, TC-146542, TL8002961, CS-0042693, FT-0687098, ST50662919, X8089, EN300-13911, M-7323, J-509834, I14-10521, Z56174915, F1414-0365, C8H7NO5, AR-1H9145, CID284163, 41016-23-3,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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

Lot Number