AG0015RE

1217501-10-4 | Boronic acid, B-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-

AG0015RE

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CAS Number	1217501-10-4
Catalog Number	AG0015RE(AGN-PC-0WA8ZD)
Chemical Name	Boronic acid, B-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-
IUPAC Name	[4-[1-(hydroxymethyl)cyclopropyl]phenyl]boronic acid
InChI	InChI=1S/C10H13BO3/c12-7-10(5-6-10)8-1-3-9(4-2-8)11(13)14/h1-4,12-14H,5-7H2
InChI Key	RSZPBFYCGLSBAF-UHFFFAOYSA-N
MDL Number	MFCD12546571
Molecular Formula	C10H13BO3
Molecular Weight	192.0194
SMILES	OCC1(C2=CC=C(B(O)O)C=C2)CC1
Synonyms	1217501-10-4, (4-(1-(Hydroxymethyl)cyclopropyl)phenyl)boronic acid, 4-(1-(Hydroxymethyl)cyclopropyl)phenylboronic acid, {4-[1-(Hydroxymethyl)cyclopropyl]phenyl}boronic acid, ACMC-209agl, SCHEMBL2317613, CTK4B2680, DTXSID80675255, RSZPBFYCGLSBAF-UHFFFAOYSA-N, ANW-17827, MFCD12546571, AKOS006344058, ZINC169746683, TX-011938, CS-0088514, ST24020458, Z8467, A-5553, 4-(1-(Hydroxymethyl)cyclopropyl)benzeneboronic acid, I04-2979, (4-(1-(Hydroxymethyl)cyclopropyl)-phenyl)boronic acid, Boronic acid, B-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-, 4-(1-(hydroxymethyl)cyclopropyl)phenylboronic acid, AldrichCPR, C10H13BO3, (4-(1-(Hydroxymethyl)cyclopropyl)phenyl)boronicacid,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.096g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	192.021g/mol
Monoisotopic Mass	192.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	60.7A^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-P305+P351+P338
UN Code

Certificate of Analysis

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