AG003LMV

89-41-8 | 4-Methoxy-3-nitrobenzoic acid

AG003LMV

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CAS Number	89-41-8
Catalog Number	AG003LMV(AGN-PC-0JL7AL)
Chemical Name	4-Methoxy-3-nitrobenzoic acid
EC Number	201-906-0
IUPAC Name	4-methoxy-3-nitrobenzoic acid
InChI	InChI=1S/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	ANXBDAFDZSXOPQ-UHFFFAOYSA-N
MDL Number	MFCD00007256
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	29085
SMILES	C1=C(C(=CC=C1C(O)=O)OC)[N+](=O)[O-]
UNII	DD71O31OLZ
Synonyms	4-Methoxy-3-nitrobenzoic acid, 89-41-8, 3-Nitro-p-anisic acid, 3-Nitro-4-methoxybenzoic acid, Benzoic acid, 4-methoxy-3-nitro-, UNII-DD71O31OLZ, MFCD00007256, p-Anisic acid, 3-nitro-, DD71O31OLZ, 4-Methoxy-3-nitro benzoic acid, 4-Methoxy-3-nitro-benzoic acid, ANXBDAFDZSXOPQ-UHFFFAOYSA-N, 4-Methoxy-3-nitrobenzoic acid, 98%, 4-Methoxy-3-nitrobenzoicacid, NSC29085, EINECS 201-906-0, NSC 29085, PubChem21942, AC1Q1YPM, EC 201-906-0, AC1L25TN, AC1Q4C2J, Oprea1_370577, 4Methoxy-3-nitrobenzoic acid, SCHEMBL176357, 3-nitro4-methoxy benzoic acid, ACMC-209r18, 3-nitro-4-methoxy benzoic acid, DTXSID0058988, ANXBDAFDZSXOPQ-UHFFFAOYSA-, CTK5G3088, Benzoic acid,4-methoxy-3-nitro-, ZINC154837, p-Anisic acid, 3-nitro- (8CI), KS-00000JR0, ANW-39306, BBL008034, NSC-29085, SBB028523, STK299392, AKOS000113165, CS-W015681, MCULE-6052977452, TRA0039731, VZ35499, AJ-13397, AK-36772, AN-42465, AS-12855, BR-36772, SC-18121, DB-001299, TL8006999, TR-028085, AM20060935, FT-0618894, M1092, ST24023592, ST45027973, M-6324, AK-968/40879417, I14-4957, W-100374, InChI=1/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11), 3-nitro-p-anissyre, C8H7NO5, C8-H7-N-O5, Acide methoxy-4-nitro-3-benzoique, CID66640, AR-1G3089, ACN-050257, A10710, 95013-42-6,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H401
Packing Group
Precautionary statements	P273
UN Code

Certificate of Analysis

Lot Number