AG0084WG

1072951-89-3 | (3-((4-Methoxybenzyl)oxy)phenyl)boronic acid

AG0084WG

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CAS Number	1072951-89-3
Catalog Number	AG0084WG(AGN-PC-0WA7FI)
Chemical Name	(3-((4-Methoxybenzyl)oxy)phenyl)boronic acid
IUPAC Name	[3-[(4-methoxyphenyl)methoxy]phenyl]boronic acid
InChI	InChI=1S/C14H15BO4/c1-18-13-7-5-11(6-8-13)10-19-14-4-2-3-12(9-14)15(16)17/h2-9,16-17H,10H2,1H3
InChI Key	BBNOCVPPEAVHKK-UHFFFAOYSA-N
MDL Number	MFCD09038416
Molecular Formula	C14H15BO4
Molecular Weight	258.0775
SMILES	COC1=CC=C(C=C1)COC2=CC(B(O)O)=CC=C2
Synonyms	1072951-89-3, 3-(4-Methoxybenzyloxy)phenylboronic acid, (3-((4-Methoxybenzyl)oxy)phenyl)boronic acid, 3-(4'-Methoxybenzyloxy)phenylboronic acid, ACMC-2098tw, SCHEMBL22563, CTK8A9155, DTXSID10584801, BBNOCVPPEAVHKK-UHFFFAOYSA-N, ANW-15714, MFCD09038416, AKOS005137946, ZINC169903708, RTX-010059, BP-12120, OR361321, AX8280828, BC4179937, X1568, A-4757, {3-[(4-Methoxyphenyl)methoxy]phenyl}boronic acid, 3-(4'-Methoxybenzyloxy)phenylboronic acid, >=95%, I01-11586, 3-(4 inverted exclamation marka-Methoxybenzyloxy)phenylboronic acid, 3-(4 inverted exclamation marka-Methoxybenzyloxy)-phenylboronsäure, C14H15BO4,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.106g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	258.08g/mol
Monoisotopic Mass	258.106g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	58.9A^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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