AG003M01

186497-67-6 | 4-Propoxyphenylboronic acid

AG003M01

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CAS Number	186497-67-6
Catalog Number	AG003M01(AGN-PC-0LBFVS)
Chemical Name	4-Propoxyphenylboronic acid
IUPAC Name	(4-propoxyphenyl)boronic acid
InChI	InChI=1S/C9H13BO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3
InChI Key	SOKFEJKZYHYKSY-UHFFFAOYSA-N
MDL Number	MFCD03427189
Molecular Formula	C9H13BO3
Molecular Weight	180.0087
SMILES	CCCOC1=CC=C(C=C1)B(O)O
Synonyms	4-Propoxyphenylboronic acid, 186497-67-6, (4-propoxyphenyl)boronic Acid, 4-propoxybenzeneboronic acid, 4-n-Propoxyphenylboronic acid, (4-Propyloxyphenyl)boronic acid, MFCD03427189, 4-n-Propoxybenzeneboronic acid, 4-PROPOXYPHENYLBORONICACID, P-PROPOXYPHENYLBORONIC ACID, Boronic acid, (4-propoxyphenyl)-, PubChem9546, AC1NARFZ, ACMC-1C1FH, 4-propoxyphenyl boronic acid, 4-Propoxy-phenylboronic acid, KSC493A5R, 4-propoxy-phenyl-boronic acid, SCHEMBL257577, CTK3J3058, KS-00000ARC, DTXSID80403479, SOKFEJKZYHYKSY-UHFFFAOYSA-N, ACN-S004025, ANW-23283, CP-337, FC0732, SBB071270, AKOS004116396, ZINC169745137, AB15054, RL02370, RTR-008609, TRA0009509, VB10380, B-(4-PROPOXYPHENYL)BORONIC ACID, AK-33854, AN-30361, AS-14926, BC001038, FS011455, N202, SY017566, AB0015620, AB1004694, DB-029003, TL8001508, TR-008609, FT-0647427, P1968, ST24043995, MFCD03427189 (96%), A-9049, 497P676, A813040, I04-0797, J-502753, J-515968, C9H13BO3, 4-(n-Propoxy)benzeneboronic acid, CID4456490, [4-(3-hydroxypropyl)phenyl]boronic Acid, 4-Propoxyphenylboronic acid, 98% - 1G 1g, 4-Propoxyphenylboronic acid (contains varying amounts of anhydride),

Complexity	133
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	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number