AG004ORM

84211-30-3 | Benzoic acid, 3,4-dihydroxy-5-nitro-

AG004ORM

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CAS Number	84211-30-3
Catalog Number	AG004ORM(AGN-PC-001GH4)
Chemical Name	Benzoic acid, 3,4-dihydroxy-5-nitro-
IUPAC Name	3,4-dihydroxy-5-nitrobenzoic acid
InChI	InChI=1S/C7H5NO6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)
InChI Key	HDPSONAKHMNQPA-UHFFFAOYSA-N
MDL Number	MFCD00872080
Molecular Formula	C7H5NO6
Molecular Weight	199.1177
SMILES	O=C(O)C1=CC([N+]([O-])=O)=C(O)C(O)=C1
Synonyms	3,4-Dihydroxy-5-nitrobenzoic Acid, 84211-30-3, Benzoic acid, 3,4-dihydroxy-5-nitro-, CHEMBL170549, SCHEMBL644782, CTK3D0715, DTXSID30560445, HDPSONAKHMNQPA-UHFFFAOYSA-N, 3-Nitro-4,5-dihydroxybenzoic acid, 3,4-dihydroxy-5-nit-robenzoic acid, 3,4-Dihydroxy-5-nitro-benzoic acid, BDBM50017858, STL433370, ZINC27977563, TL80090546, A1-06119,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.012g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	199.118g/mol
Monoisotopic Mass	199.012g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	124A^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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