AG003BSI

870777-33-6 | 3-FORMYL-5-METHYLPHENYLBORONIC ACID

AG003BSI

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CAS Number	870777-33-6
Catalog Number	AG003BSI(AGN-PC-00UQK9)
Chemical Name	3-FORMYL-5-METHYLPHENYLBORONIC ACID
IUPAC Name	(3-formyl-5-methylphenyl)boronic acid
InChI	InChI=1S/C8H9BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-5,11-12H,1H3
InChI Key	IDXLUNCVVBZUEN-UHFFFAOYSA-N
MDL Number	MFCD08276762
Molecular Formula	C8H9BO3
Molecular Weight	163.9663
SMILES	CC1=CC(=CC(C=O)=C1)B(O)O
Synonyms	(3-Formyl-5-methylphenyl)boronic acid, 870777-33-6, 3-Formyl-5-methylphenylboronic acid, AK-62011, ACMC-209qdv, SCHEMBL1072576, CTK5F7739, DTXSID30584489, IDXLUNCVVBZUEN-UHFFFAOYSA-N, KS-00000P4S, ANW-38465, MFCD08276762, AKOS015837463, ZINC169747154, AB44850, AM85133, CS-W016100, FCH1122944, RTR-027123, TRA0100264, (3-Formyl-5-methyl-phenyl)boronic acid, BC001785, BP-12104, DS-14899, OR350181, AX8217996, Boronic acid,B-(3-formyl-5-methylphenyl)-, ST2407982, 4CH-016337, X1405, Boronic acid, B-(3-formyl-5-methylphenyl)-, B-4816, I04-1941, C8H9BO3, (3-Formyl-5-methylphenyl)boronicacid, ACN-046526, 3-FORMYL-5-METHYLPHENYLBORONICACID,

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

Lot Number