AG0026P6

179028-65-0 | Benzoic acid, 2-cyano-5-methoxy-

AG0026P6

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CAS Number	179028-65-0
Catalog Number	AG0026P6(AGN-PC-0KKW26)
Chemical Name	Benzoic acid, 2-cyano-5-methoxy-
IUPAC Name	2-cyano-5-methoxybenzoic acid
InChI	InChI=1S/C9H7NO3/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-4H,1H3,(H,11,12)
InChI Key	GIVYSLAWUDQJKC-UHFFFAOYSA-N
MDL Number	MFCD00116264
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	C1(C=C(C(C#N)=CC=1)C(=O)O)OC
Synonyms	2-cyano-5-methoxybenzoic acid, 179028-65-0, 2-cyano-5-methoxy-benzoic Acid, PubChem19758, buttpark 9612-95, AC1MCO8F, cyano-5-methoxybenzoic acid, 2-Cyano-5-methoxybenzoicacid, SCHEMBL4309752, CTK4D7153, DTXSID40378977, Benzoic acid,2-cyano-5-methoxy-, GIVYSLAWUDQJKC-UHFFFAOYSA-N, ZINC150627, Benzoic acid, 2-cyano-5-methoxy-, ACT12202, KS-00000N0C, ANW-49630, CCG-48441, MFCD00116264, SBB052834, AKOS015836113, PS-4137, RP23854, AC-26033, AJ-12624, AK-33780, AN-30706, EN001468, AB0022934, DB-005239, ST2416836, TR-008214, 4CH-015145, FT-0080845, FT-0612102, W3898, A20256, M-9436, 028C650, I01-3894, J-509197, SR-01000637980-1, C9H7NO3, CID2774298,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number