AG006VSS

5081-36-7 | 3-Methoxy-4-nitrobenzoic Acid

AG006VSS

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CAS Number	5081-36-7
Catalog Number	AG006VSS(AGN-PC-0JLRKW)
Chemical Name	3-Methoxy-4-nitrobenzoic Acid
EC Number	225-793-2
IUPAC Name	3-methoxy-4-nitrobenzoic acid
InChI	InChI=1S/C8H7NO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	PWURRRRGLCVBMX-UHFFFAOYSA-N
MDL Number	MFCD00007353
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	148471
SMILES	C1=C(C(O)=O)C=CC(=C1OC)[N+](=O)[O-]
Synonyms	3-Methoxy-4-nitrobenzoic acid, 5081-36-7, 4-Nitro-3-methoxybenzoic acid, 4-Nitro-m-anisic Acid, Benzoic acid, 3-methoxy-4-nitro-, 3-Methoxy-4-nitrobenzoicAcid, PWURRRRGLCVBMX-UHFFFAOYSA-N, MFCD00007353, EINECS 225-793-2, NSC148471, PubChem3918, AC1L2VWX, AC1Q1ZHE, ACMC-1BN9S, KSC270M6T, SCHEMBL223878, 3-methoxy4-nitro-benzoic acid, 3-methoxy-4-nitro-benzoic acid, CTK1H0669, KS-00000CLP, DTXSID50198840, 3-(methyloxy)-4-nitrobenzoic acid, ACT00248, BCP06468, EBD28347, ZINC1683125, ANW-31130, CN-124, GEO-01715, SBB052778, 3-Methoxy-4-nitrobenzoic acid, 98%, AKOS005254727, ACN-048844, AS04462, CM12836, CS-W007961, GS-6828, MCULE-7085834193, NSC-148471, RP25518, RTC-020123, TRA0073968, AC-22303, AJ-29737, AK-24892, BR-24892, SC-04912, SY008521, AB0010511, AB1003622, ST2410757, TC-020123, TL8003366, AM20050238, FT-0084662, FT-0601398, M2083, ST50406683, MFCD00007353 (98%), 4-AMino-3-Methoxybenzoic acid (Methyl, ethyl), A-5752, A20390, 081M367, W-105929, 4-Nitro-3-methoxybenzoic acid;4-Nitro-m-anisic acid, F0001-1329, Z118458740, 2-Chloropyridine N-oxide, C8H7NO5, C8-H7-N-O5, CID78764, AR-1F3957, 3-Methoxy-4-nitrobenzoic acid, 98% - 25G 25g, 2402-95-1, 52306-33-9,

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	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number