AG000KA9

123291-97-4 | Boronic acid, B-(2-ethoxy-5-methylphenyl)-

AG000KA9

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CAS Number	123291-97-4
Catalog Number	AG000KA9(AGN-PC-0LE7LK)
Chemical Name	Boronic acid, B-(2-ethoxy-5-methylphenyl)-
IUPAC Name	(2-ethoxy-5-methylphenyl)boronic acid
InChI	InChI=1S/C9H13BO3/c1-3-13-9-5-4-7(2)6-8(9)10(11)12/h4-6,11-12H,3H2,1-2H3
InChI Key	KBGGTPGSWHNQEX-UHFFFAOYSA-N
MDL Number	MFCD00196832
Molecular Formula	C9H13BO3
Molecular Weight	180.0087
SMILES	CCOC1=C(C=C(C)C=C1)B(O)O
Synonyms	2-Ethoxy-5-methylphenylboronic acid, 123291-97-4, 2-ETHOXY-5-METHYLBENZENEBORONIC ACID, (2-ethoxy-5-methylphenyl)boronic acid, (2-ethoxy-5-methyl-phenyl)boronic Acid, MFCD00196832, 2-Ethoxy-5-methylphenylboronicacid, AC1NECDT, ACMC-1C5PF, SCHEMBL1490739, CTK0H3731, KS-00000NBD, DTXSID10404914, ANW-18110, CE-259, SBB071207, AKOS004113938, ZINC169743985, 4-ETHOXYTOLUENE-3-BORONIC ACID, AB04691, PS-9574, RL01062, RTR-003670, TRA0010302, VB10248, AK-45712, BC001143, DB-010411, E1189, FT-0658237, ST24040526, V1904, Boronic acid, B-(2-ethoxy-5-methylphenyl)-, B-3150, 291E974, A805040, I04-0686, J-509295, 2-Ethoxy-5-methylphenylboronic Acid (contains varying amounts of Anhydride), C9H13BO3, 2-Ethoxy-5-methoxybenzeneboronic acid, CID4615191,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.096g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.01g/mol
Monoisotopic Mass	180.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.7A^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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