AG005JTV

815620-00-9 | (4-Formyl-3-methoxyphenyl)boronic acid

AG005JTV

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CAS Number	815620-00-9
Catalog Number	AG005JTV(AGN-PC-0WAAG9)
Chemical Name	(4-Formyl-3-methoxyphenyl)boronic acid
IUPAC Name	(4-formyl-3-methoxyphenyl)boronic acid
InChI	InChI=1S/C8H9BO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-5,11-12H,1H3
InChI Key	LZVMUJGTTXMMTE-UHFFFAOYSA-N
MDL Number	MFCD10697427
Molecular Formula	C8H9BO4
Molecular Weight	179.9657
SMILES	COC1=CC(B(O)O)=CC=C1C=O
Synonyms	(4-Formyl-3-methoxyphenyl)boronic acid, 815620-00-9, 4-FORMYL-3-METHOXYPHENYLBORONIC ACID, ACMC-209pls, SCHEMBL14654654, CTK5E8909, DTXSID80681871, ANW-37454, MFCD10697427, AKOS006302505, ZINC169746735, AB59583, 2-Methoxy-4-(dihydroxyboryl)benzaldehyde, BC001714, TR-037898, 4CH-012123, ST24020565, Z0861, B-4786, I04-1932, C8H9BO4, (4-Formyl-3-methoxyphenyl)boronicacid,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.966g/mol
Monoisotopic Mass	180.059g/mol
Rotatable Bond Count	3
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
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
UN Code

Certificate of Analysis

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