AG00BIF0

222840-95-1 | 3-Allyloxyphenylboronic acid

AG00BIF0

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CAS Number	222840-95-1
Catalog Number	AG00BIF0(AGN-PC-0WA7YU)
Chemical Name	3-Allyloxyphenylboronic acid
IUPAC Name	(3-prop-2-enoxyphenyl)boronic acid
InChI	InChI=1S/C9H11BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h2-5,7,11-12H,1,6H2
InChI Key	YUJCSDZSQSVVBO-UHFFFAOYSA-N
MDL Number	MFCD11103733
Molecular Formula	C9H11BO3
Molecular Weight	177.9928
SMILES	OB(C1=CC=CC(OCC=C)=C1)O
Synonyms	3-ALLYLOXYPHENYLBORONIC ACID, 222840-95-1, ACMC-209fuj, SCHEMBL7368503, CTK4E9104, KS-00000TBS, DTXSID80611158, (3-(Allyloxy)phenyl)boronic acid, ANW-24809, MFCD11103733, AKOS009317520, ZINC169922525, DS-9884, BBV-2090446, AK197491, OR360632, TR-036182, CS-0059669, X0636, {3-[(Prop-2-en-1-yl)oxy]phenyl}boronic acid, B-7978, Boronic acid, [3-(2-propenyloxy)phenyl]- (9CI), I04-2143, C9H11BO3,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.08g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	177.994g/mol
Monoisotopic Mass	178.08g/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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