AG006N8N

913836-12-1 | 5-Borono-2-methoxybenzoic acid

AG006N8N

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CAS Number	913836-12-1
Catalog Number	AG006N8N(AGN-PC-07132X)
Chemical Name	5-Borono-2-methoxybenzoic acid
IUPAC Name	5-borono-2-methoxybenzoic acid
InChI	InChI=1S/C8H9BO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11)
InChI Key	YZKWFWNYFKBAHO-UHFFFAOYSA-N
MDL Number	MFCD06203322
Molecular Formula	C8H9BO5
Molecular Weight	195.9651
SMILES	C(=O)(O)c1c(OC)ccc(c1)B(O)O
Synonyms	5-Borono-2-methoxybenzoic acid, 913836-12-1, 3-CARBOXY-4-METHOXYPHENYLBORONIC ACID, Benzoicacid, 5-borono-2-methoxy- (9CI), 5-(dihydroxyboranyl)-2-methoxybenzoic acid, MFCD06203322, 3-Carboxy-4-methoxybenzeneboronic acid, AK-62117, ACMC-209raw, KSC486I0N, SCHEMBL1163265, CTK3I6406, KS-00000NJE, DTXSID60657054, YZKWFWNYFKBAHO-UHFFFAOYSA-N, ACT11013, ZX-AT001761, ANW-39654, OR3625, AKOS006346721, ZINC169745021, AB23171, DS-1805, FCH2141646, RTR-028703, BC001924, SC-43696, AB0029316, AX8085499, BENZOIC ACID, 5-BORONO-2-METHOXY-, ST2411732, TR-028703, 4CH-015520, FT-0694749, X1458, A-3901, I01-10598, C8H9BO5, ACN-032634,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.054g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	195.965g/mol
Monoisotopic Mass	196.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number