AG005MBQ

730971-32-1 | 3-Borono-4-methoxybenzoic acid

AG005MBQ

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CAS Number	730971-32-1
Catalog Number	AG005MBQ(AGN-PC-068B84)
Chemical Name	3-Borono-4-methoxybenzoic acid
IUPAC Name	3-borono-4-methoxybenzoic acid
InChI	InChI=1S/C8H9BO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key	UENFRNNKQBQROW-UHFFFAOYSA-N
MDL Number	MFCD06203261
Molecular Formula	C8H9BO5
Molecular Weight	195.9651
SMILES	COC1=C(C=C(C=C1)C(O)=O)B(O)O
Synonyms	3-BORONO-4-METHOXYBENZOIC ACID, 730971-32-1, 5-Carboxy-2-methoxyphenylboronic acid, 2-METHOXY-5-CARBOXYPHENYLBORONIC ACID, 5-Carboxy-2-methoxybenzeneboronic acid, 3-(dihydroxyboranyl)-4-methoxybenzoic acid, Benzoic acid, 3-borono-4-methoxy-, ACMC-209opf, SCHEMBL130793, CTK5D7337, DTXSID90655149, UENFRNNKQBQROW-UHFFFAOYSA-N, Benzoic acid,3-borono-4-methoxy-, ZX-AT000878, ANW-36289, FCH921271, MFCD06203261, OR3620, 3-BORONO-4-METHOXYBENZOICACID, AKOS006346720, ZINC169745617, 5-carboxy-2-methoxyphenyl boronic acid, AB23165, RTR-023776, AS-18722, BC001925, SC-50067, AX8084826, DB-074662, TR-023776, FT-0691929, ST24041807, X0965, A-3900, C90052, I01-10584, C8H9BO5, ACN-034264,

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	P305+P351+P338-P405-P261-P280-P304+P340
UN Code

Certificate of Analysis

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