AG0015RG

1217501-08-0 | 4-(1-(Methoxycarbonyl)cyclopropyl)phenylboronic acid

AG0015RG

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CAS Number	1217501-08-0
Catalog Number	AG0015RG(AGN-PC-0WA8ZE)
Chemical Name	4-(1-(Methoxycarbonyl)cyclopropyl)phenylboronic acid
IUPAC Name	[4-(1-methoxycarbonylcyclopropyl)phenyl]boronic acid
InChI	InChI=1S/C11H13BO4/c1-16-10(13)11(6-7-11)8-2-4-9(5-3-8)12(14)15/h2-5,14-15H,6-7H2,1H3
InChI Key	HVUPAWWRAWWJMH-UHFFFAOYSA-N
MDL Number	MFCD12546570
Molecular Formula	C11H13BO4
Molecular Weight	220.0295
SMILES	O=C(C1(C2=CC=C(B(O)O)C=C2)CC1)OC
Synonyms	1217501-08-0, (4-(1-(Methoxycarbonyl)cyclopropyl)phenyl)boronic acid, 4-(1-(METHOXYCARBONYL)CYCLOPROPYL)PHENYLBORONIC ACID, 4-[1-(Methoxycarbonyl)cyclopropyl]phenylboronic acid, {4-[1-(Methoxycarbonyl)cyclopropyl]phenyl}boronic acid, HVUPAWWRAWWJMH-UHFFFAOYSA-N, ACMC-209agj, SCHEMBL12989332, CTK4B2678, DTXSID60675253, ANW-17825, MFCD12546570, AKOS015852304, ZINC169745990, AK-94795, DS-18003, OR360328, AX8220476, TR-034698, CS-0030589, FT-0743907, ST24020459, Z8465, A-5551, I04-2632, (4-(1-(Methoxycarbonyl)cyclopropyl)-phenyl)boronic acid, Cyclopropanecarboxylic acid, 1-(4-boronophenyl)-, 1-methyl ester, C11H13BO4, (4-(1-(Methoxycarbonyl)cyclopropyl)phenyl)boronicacid,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.091g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	220.031g/mol
Monoisotopic Mass	220.091g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^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

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