AG004KMF

871329-56-5 | 2-Ethoxymethylphenylboronic acid

AG004KMF

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CAS Number	871329-56-5
Catalog Number	AG004KMF(AGN-PC-03X8MU)
Chemical Name	2-Ethoxymethylphenylboronic acid
IUPAC Name	[2-(ethoxymethyl)phenyl]boronic acid
InChI	InChI=1S/C9H13BO3/c1-2-13-7-8-5-3-4-6-9(8)10(11)12/h3-6,11-12H,2,7H2,1H3
InChI Key	SVBVDEHEAYWGFP-UHFFFAOYSA-N
MDL Number	MFCD07363844
Molecular Formula	C9H13BO3
Molecular Weight	180.0087
SMILES	O(CC)CC1=CC=CC=C1B(O)O
Synonyms	871329-56-5, (2-(Ethoxymethyl)phenyl)boronic acid, 2-ETHOXYMETHYLPHENYLBORONIC ACID, 2-(ETHOXYMETHYL)BENZENEBORONIC ACID, Boronic acid,B-[2-(ethoxymethyl)phenyl]-, MFCD07363844, [2-(ethoxymethyl)phenyl]boronic acid, ACMC-209qg1, SCHEMBL12544470, CTK5F7907, DTXSID00629654, ANW-38543, AKOS004115061, ZINC169743925, AB30887, RTR-027207, 2-(ETHOXYMETHYL)PHENYLBORONIC ACID, BBV-32836368, OR361200, AX8158573, TR-027207, 2-ethoxymethylphenylboronic acid, AldrichCPR, AM20041276, ST24033778, X2602, B-5762, I04-2134, 2-Ethoxymethylphenylboronicacid, C9H13BO3,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number