AG0080ZW

1186398-35-5 | (5-Formyl-2-methylphenyl)boronic acid

AG0080ZW

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CAS Number	1186398-35-5
Catalog Number	AG0080ZW(AGN-PC-0BULCA)
Chemical Name	(5-Formyl-2-methylphenyl)boronic acid
IUPAC Name	(5-formyl-2-methylphenyl)boronic acid
InChI	InChI=1S/C8H9BO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5,11-12H,1H3
InChI Key	VBQDWWUYMAWKHV-UHFFFAOYSA-N
MDL Number	MFCD16295249
Molecular Formula	C8H9BO3
Molecular Weight	163.9663
SMILES	c1(ccc(c(c1)B(O)O)C)C=O
Synonyms	(5-Formyl-2-methylphenyl)boronic acid, 1186398-35-5, 5-Formyl-2-methylphenylboronic acid, SCHEMBL4310609, CTK8C2677, DTXSID50726925, ANW-68823, MFCD16295249, AKOS016005746, ZINC169748033, FCH1176208, (5-Formyl-2-methyl-phenyl)boronic acid, BBV-39769326, BC001641, AX8218139, TC-157568, FT-0697393, ST24034861, Y3770, Q-7552, C8H9BO3, (5-Formyl-2-methylphenyl)boronicacid, ACN-034184,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	163.967g/mol
Monoisotopic Mass	164.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^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-P305+P351+P338
UN Code

Certificate of Analysis

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