AG00D9R8

480424-49-5 | 3-FORMYL-2-METHOXYBENZENEBORONIC ACID 98

AG00D9R8

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CAS Number	480424-49-5
Catalog Number	AG00D9R8(AGN-PC-00UQW0)
Chemical Name	3-FORMYL-2-METHOXYBENZENEBORONIC ACID 98
IUPAC Name	(3-formyl-2-methoxyphenyl)boronic acid
InChI	InChI=1S/C8H9BO4/c1-13-8-6(5-10)3-2-4-7(8)9(11)12/h2-5,11-12H,1H3
InChI Key	DUROSIJIMLRFHR-UHFFFAOYSA-N
MDL Number	MFCD08689486
Molecular Formula	C8H9BO4
Molecular Weight	179.9657
SMILES	c1(cccc(c1OC)B(O)O)C=O
Synonyms	3-Formyl-2-methoxyphenylboronic acid, 480424-49-5, (3-formyl-2-methoxyphenyl)boronic acid, 3-Formyl-2-methoxybenzeneboronic acid, Boronic acid, B-(3-formyl-2-methoxyphenyl)-, AK-40422, ACMC-209kbb, SCHEMBL188094, CTK1D5444, DTXSID20584796, DUROSIJIMLRFHR-UHFFFAOYSA-N, 3-Formyl-2-methoxyphenylboronicacid, KS-00000HW5, ZX-AT001525, ANW-30597, CF-769, MFCD08689486, OR3445, SBB065894, AKOS015837370, ZINC169745179, CS-W017246, FCH1122940, LS11323, PS-9559, RL03790, RTR-017610, TRA0094799, VB10302, (3-Formyl-2-methoxy-phenyl)boronic acid, (3-formyl-2-methoxyphenyl) boronic acid, ACM480424495, AM808056, SC-52388, (3-methanoyl-2-methoxy-phenyl)boronic acid, AB0020854, AX8161542, DB-010597, TR-017610, 4CH-008743, Boronic acid,B-(3-formyl-2-methoxyphenyl)-, F1088, FT-0655228, ST24028535, V1876, 3-Formyl-2-methoxyphenylboronic acid, >=95%, B-3283, 3-FORMYL-2-METHOXYBENZENEBORONIC ACID 98, A827428, I04-0754, J-512568, 3-Formyl-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride), C8H9BO4, ACN-046507, 3-FORMYL-2-METHOXYBENZENEBORONICACID98, Boronic acid, (3-formyl-2-methoxyphenyl)- (9CI),

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

Certificate of Analysis

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