AG0075E2

40751-88-0 | 2-Methoxy-3-nitrobenzoic acid

AG0075E2

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CAS Number	40751-88-0
Catalog Number	AG0075E2(AGN-PC-00JPNF)
Chemical Name	2-Methoxy-3-nitrobenzoic acid
IUPAC Name	2-methoxy-3-nitrobenzoic acid
InChI	InChI=1S/C8H7NO5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	GMSYODOBBOEWCM-UHFFFAOYSA-N
MDL Number	MFCD11044854
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
SMILES	O=C(O)C1=CC=CC([N+]([O-])=O)=C1OC
Synonyms	2-METHOXY-3-NITROBENZOIC ACID, 40751-88-0, 2-Methoxy-3-nitro-benzoic acid, SCHEMBL521662, CTK1D4884, DTXSID60475856, Benzoicacid, 2-methoxy-3-nitro-, GMSYODOBBOEWCM-UHFFFAOYSA-N, MFCD11044854, ZINC87493289, AKOS006307848, AC-28634, AJ-128046, CS-0077570, FT-0701372, ST24040758, X8088, Z1948933155, C8H7NO5, 2-METHOXY-3-NITROBENZOICACID,

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	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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