AG00C09O

352534-81-7 | 3-BUTOXYBENZENEBORONIC ACID

AG00C09O

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CAS Number	352534-81-7
Catalog Number	AG00C09O(AGN-PC-0LMCQY)
Chemical Name	3-BUTOXYBENZENEBORONIC ACID
IUPAC Name	(3-butoxyphenyl)boronic acid
InChI	InChI=1S/C10H15BO3/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8,12-13H,2-3,7H2,1H3
InChI Key	ZTRKYYYDXARQRD-UHFFFAOYSA-N
MDL Number	MFCD03427053
Molecular Formula	C10H15BO3
Molecular Weight	194.0353
SMILES	CCCCOC1=CC=CC(=C1)B(O)O
Synonyms	3-Butoxyphenylboronic acid, 352534-81-7, (3-butoxyphenyl)boronic Acid, 3-BUTOXYBENZENEBORONIC ACID, BORONIC ACID, (3-BUTOXYPHENYL)-, 3-BUTOXYBENZENEBORONICACID, ACMC-1CUPC, AC1NO8KO, 3-butoxyphenyl boronic acid, 3 - Butoxyphenylboronic acid, SCHEMBL177358, CTK4H4081, DTXSID00408163, ZTRKYYYDXARQRD-UHFFFAOYSA-N, Boronic acid,B-(3-butoxyphenyl)-, ANW-28140, MFCD03427053, 3-BUTOXY BENZENE BORONIC ACID, AKOS004114072, ZINC169747600, AB15043, CB-1052, LS10829, RTR-014587, KS-0000108F, TRA-0205325, B-(3-BUTOXYPHENYL)-BORONIC ACID, ACM352534817, AK-46018, BC005303, BP-12127, FS011459, OR360240, AX8085460, DB-010550, 4CH-021374, B4640, FT-0742979, ST24041989, X0733, K-7996, C10H15BO3, ACN-032720, CID5084101, Boronic acid, (3-butoxyphenyl)- (9CI),

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.037g/mol
Monoisotopic Mass	194.111g/mol
Rotatable Bond Count	5
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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number