AG00C8LR

31839-20-0 | 5-Hydroxy-4-methoxy-2-nitrobenzoic acid

AG00C8LR

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CAS Number	31839-20-0
Catalog Number	AG00C8LR(AGN-PC-0O8V89)
Chemical Name	5-Hydroxy-4-methoxy-2-nitrobenzoic acid
IUPAC Name	5-hydroxy-4-methoxy-2-nitrobenzoic acid
InChI	InChI=1S/C8H7NO6/c1-15-7-3-5(9(13)14)4(8(11)12)2-6(7)10/h2-3,10H,1H3,(H,11,12)
InChI Key	VAFJDIUJDDCMHN-UHFFFAOYSA-N
MDL Number	MFCD10666941
Molecular Formula	C8H7NO6
Molecular Weight	213.1443
SMILES	COC1=CC(=C(C=C1O)C(O)=O)[N+]([O-])=O
Synonyms	5-hydroxy-4-methoxy-2-nitrobenzoic acid, 31839-20-0, 5-Hydroxy-4-methoxy-2-nitro-benzoic acid, Benzoic acid, 5-hydroxy-4-methoxy-2-nitro-, hydroxymethoxynitrobenzoicacid, SCHEMBL215923, CTK1B9573, DTXSID50552448, VAFJDIUJDDCMHN-UHFFFAOYSA-N, 5-Carboxy-2-methoxy-4-nitrophenol, AC1Q4695, 4-Carboxy-2-hydroxy-5-nitroanisole, ANW-55953, MFCD10666941, TD1298, ZINC12480445, AKOS015856257, AF-0707, MCULE-3071568378, RP12367, 3-hydroxy-4-methoxy-6-nitrobenzoic acid, AC-28507, AJ-62387, AK-48144, SY034477, AB0088392, TR-013470, 4CH-000275, FT-0682844, ST24044778, EN300-33663, MFCD10666941 (95%), 5-Hydroxy-4-methoxy-2-nitrobenzoic acid 95+%, Y-9469, J-517606, I01-16102, Z361993998, 5-hydroxy-4-methoxy-2-nitrobenzoicacid,

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	0.9

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

Lot Number