AG001PRC

15785-54-3 | Benzoic acid, 4-hydroxy-3-methoxy-5-nitro-

AG001PRC

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CAS Number	15785-54-3
Catalog Number	AG001PRC(AGN-PC-00PK6Z)
Chemical Name	Benzoic acid, 4-hydroxy-3-methoxy-5-nitro-
EC Number	819-935-8
IUPAC Name	4-hydroxy-3-methoxy-5-nitrobenzoic acid
InChI	InChI=1S/C8H7NO6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)
InChI Key	AEDVAGWYAKIOIM-UHFFFAOYSA-N
MDL Number	MFCD06203146
Molecular Formula	C8H7NO6
Molecular Weight	213.1443
SMILES	O=C(O)C1=CC([N+]([O-])=O)=C(O)C(OC)=C1
Synonyms	4-Hydroxy-3-methoxy-5-nitrobenzoic acid, 15785-54-3, 5-Nitrovanillic acid, Benzoic acid, 4-hydroxy-3-methoxy-5-nitro-, AK-93198, 1DF, SCHEMBL3583434, CTK4C9496, DTXSID80573686, AEDVAGWYAKIOIM-UHFFFAOYSA-N, ALBB-025452, KS-00000Q1E, ZX-AN023966, ANW-53260, MFCD06203146, SBB072526, STL433224, ZINC37011453, AKOS015998371, MCULE-7494527122, 4-hydroxy-5-methoxy-3 nitrobenzoic acid, 4-hydroxy-5-methoxy-3-nitrobenzoic acid, AJ-93604, AS-20044, SC-91188, ST092927, SY059764, AB0059111, AX8231181, Benzoic acid,4-hydroxy-3-methoxy-5-nitro-, TX-017021, 4CH-011778, ST24023561, TL80090538, Z4222, MFCD06203146 (95%), M-8484, J-803055, Sodium dodecyl sulfate, C8H7NO6, 4-Hydroxy-3-methoxy-5-nitrobenzoicacid, 84211-28-9,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.027g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	213.145g/mol
Monoisotopic Mass	213.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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