AG005ZIW

741699-09-2 | 4-Borono-3-methoxybenzoic acid

AG005ZIW

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CAS Number	741699-09-2
Catalog Number	AG005ZIW(AGN-PC-03ZL6G)
Chemical Name	4-Borono-3-methoxybenzoic acid
IUPAC Name	4-borono-3-methoxybenzoic acid
InChI	InChI=1S/C8H9BO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key	ITWXOEQLYFYTJX-UHFFFAOYSA-N
MDL Number	MFCD10696665
Molecular Formula	C8H9BO5
Molecular Weight	195.9651
SMILES	COC1=C(C=CC(=C1)C(O)=O)B(O)O
Synonyms	4-Borono-3-methoxybenzoic acid, 741699-09-2, 4-CARBOXY-2-METHOXYPHENYLBORONIC ACID, BENZOIC ACID, 4-BORONO-3-METHOXY-, 4-(DIHYDROXYBORYL)-3-METHOXYBENZOICACID, 4-(DIHYDROXYBORYL)-3-METHOXYBENZOIC ACID, 4-(DIHYDROXYBORANYL)-3-METHOXYBENZOIC ACID, SCHEMBL458266, AMBA00014, CTK8C2672, DTXSID30630899, ITWXOEQLYFYTJX-UHFFFAOYSA-N, ANW-68813, FCH881600, MFCD10696665, AKOS006304826, ZINC169748037, 4-carboxy-2-methoxyphenyl boronic acid, AB57879, 3-Methoxy-4-(dihydroxyboryl)benzoic acid, AM804305, AS-54861, BC001715, OR360265, AX8218062, TC-157558, ST24043297, Z0820, Q-8086, C8H9BO5, 4-Borono-3-methoxybenzoicacid,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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