AG001LTH

149557-18-6 | Boronic acid, B-(3-propoxyphenyl)-

AG001LTH

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CAS Number	149557-18-6
Catalog Number	AG001LTH(AGN-PC-0KYOWI)
Chemical Name	Boronic acid, B-(3-propoxyphenyl)-
IUPAC Name	(3-propoxyphenyl)boronic acid
InChI	InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3
InChI Key	SRSWMXFANVKOFH-UHFFFAOYSA-N
MDL Number	MFCD03427190
Molecular Formula	C9H13BO3
Molecular Weight	180.0087
SMILES	CCCOC1=CC=CC(=C1)B(O)O
Synonyms	3-Propoxyphenylboronic acid, 149557-18-6, (3-propoxyphenyl)boronic Acid, 3-propoxybenzeneboronic acid, 3-PROPYLOXYBENZENE BORONIC ACID, Boronic acid,B-(3-propoxyphenyl)-, AK-45598, AC1Q2YDA, AC1MVZ48, SCHEMBL7992, ACMC-1C5R5, 3-propoxy phenyl boronic acid, CTK4C6264, DTXSID40395109, M-PROPOXYPHENYLBORONIC ACID, SRSWMXFANVKOFH-UHFFFAOYSA-N, KS-00000MR8, ANW-21222, Boronic acid, B-(3-propoxyphenyl)-, CP-334, MFCD03427190, AKOS004114154, ZINC169747290, AB15057, LS10852, RP09420, RTC-069310, TRA0088205, VB10634, BBV-2090423, BC005305, CC-15920, DS-13626, FS011458, N203, OR360035, AB1004671, AX8006938, DB-010614, ST2405184, 4CH-001178, FT-0643444, A-9050, A808919, C-06621, I01-3204, J-513080, null, 3-Propoxyphenylboronicacid, C9H13BO3, ACN-032731, CID3691230,

Complexity	141
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	4
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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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