AG00029G

1005346-96-2 | Boronic acid, B-(2-formyl-4,5-dimethoxyphenyl)-

AG00029G

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CAS Number	1005346-96-2
Catalog Number	AG00029G(AGN-PC-0WA6RL)
Chemical Name	Boronic acid, B-(2-formyl-4,5-dimethoxyphenyl)-
IUPAC Name	(2-formyl-4,5-dimethoxyphenyl)boronic acid
InChI	InChI=1S/C9H11BO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5,12-13H,1-2H3
InChI Key	YCKBAZGRLLTFEM-UHFFFAOYSA-N
MDL Number	MFCD16660278
Molecular Formula	C9H11BO5
Molecular Weight	209.9916
SMILES	COC1=C(OC)C=C(C=O)C(B(O)O)=C1
Synonyms	1005346-96-2, (2-Formyl-4,5-dimethoxyphenyl)boronic acid, 2-FORMYL-4,5-DIMETHOXYPHENYLBORONIC ACID, ACMC-2097qz, SCHEMBL3974417, CTK3J9054, DTXSID00647252, ANW-14313, AKOS015837505, ZINC169746731, OR361226, AX8239699, TR-033775, ST24020232, Z6290, A-4073, Boronic acid, B-(2-formyl-4,5-dimethoxyphenyl)-, I04-1930, C9H11BO5, (2-Formyl-4,5-dimethoxyphenyl)boronicacid,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.07g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.992g/mol
Monoisotopic Mass	210.07g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76A^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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