AG006N8P

913836-10-9 | 3-Borono-2-methoxybenzoic acid

AG006N8P

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CAS Number	913836-10-9
Catalog Number	AG006N8P(AGN-PC-07138W)
Chemical Name	3-Borono-2-methoxybenzoic acid
IUPAC Name	3-borono-2-methoxybenzoic acid
InChI	InChI=1S/C8H9BO5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key	QUWLFFYGKXZCER-UHFFFAOYSA-N
MDL Number	MFCD09027237
Molecular Formula	C8H9BO5
Molecular Weight	195.9651
SMILES	O=C(O)C1=CC=CC(B(O)O)=C1OC
Synonyms	3-Borono-2-methoxybenzoic acid, 913836-10-9, 3-Carboxy-2-methoxyphenylboronic acid, 3-(dihydroxyboranyl)-2-methoxybenzoic acid, Benzoicacid, 3-borono-2-methoxy-, 3-Carboxy-2-methoxybenzeneboronic acid, MFCD09027237, ACMC-209rau, SCHEMBL934396, CTK3I6404, DTXSID00657194, QUWLFFYGKXZCER-UHFFFAOYSA-N, ZX-AT019326, ANW-39652, FCH921578, OR3782, AKOS006344731, ZINC169743970, RTR-028701, 2-Methoxy-3-(dihydroxyboryl)benzoic acid, AS-47697, BC001906, AX8217975, TR-028701, FT-0687825, ST24041806, X1456, A-3899, I01-10654, C8H9BO5, ACN-044188,

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number