AG003H5V

480424-54-2 | (2-Ethoxy-3-formyl-5-methylphenyl)boronic acid

AG003H5V

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CAS Number	480424-54-2
Catalog Number	AG003H5V(AGN-PC-0RY8G8)
Chemical Name	(2-Ethoxy-3-formyl-5-methylphenyl)boronic acid
IUPAC Name	(2-ethoxy-3-formyl-5-methylphenyl)boronic acid
InChI	InChI=1S/C10H13BO4/c1-3-15-10-8(6-12)4-7(2)5-9(10)11(13)14/h4-6,13-14H,3H2,1-2H3
InChI Key	PICMLDFIWSDJPE-UHFFFAOYSA-N
MDL Number	MFCD08276749
Molecular Formula	C10H13BO4
Molecular Weight	208.0188
SMILES	CC1=CC(C=O)=C(OCC)C(B(O)O)=C1
Synonyms	480424-54-2, 2-Ethoxy-3-formyl-5-methylphenylboronic acid, (2-Ethoxy-3-formyl-5-methylphenyl)boronic acid, ACMC-209kbf, 2-ETHOXY-3-FORMYL-5-METHYLPHENYLBORONIC&, SCHEMBL12538919, CTK4J0560, DTXSID40584293, ANW-30601, MFCD08276749, AKOS015838847, ZINC169888204, AX8280841, TR-017614, X0833, I04-2123, C10H13BO4, Boronic acid, (2-ethoxy-3-formyl-5-methylphenyl)- (9CI),

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.02g/mol
Monoisotopic Mass	208.091g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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