AG008GP6

850593-02-1 | 1-(4-Boronobenzoyl)piperidine-4-carboxylic acid

AG008GP6

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CAS Number	850593-02-1
Catalog Number	AG008GP6(AGN-PC-0713F9)
Chemical Name	1-(4-Boronobenzoyl)piperidine-4-carboxylic acid
IUPAC Name	1-(4-boronobenzoyl)piperidine-4-carboxylic acid
InChI	InChI=1S/C13H16BNO5/c16-12(9-1-3-11(4-2-9)14(19)20)15-7-5-10(6-8-15)13(17)18/h1-4,10,19-20H,5-8H2,(H,17,18)
InChI Key	URCVWENBDSHRDE-UHFFFAOYSA-N
MDL Number	MFCD07363784
Molecular Formula	C13H16BNO5
Molecular Weight	277.0808
SMILES	O=C(C1CCN(C(C2=CC=C(B(O)O)C=C2)=O)CC1)O
Synonyms	1-(4-Boronobenzoyl)piperidine-4-carboxylic acid, 850593-02-1, ACMC-209q3g, SCHEMBL2556000, CTK3E7733, DTXSID50657346, ZX-AT018645, ANW-38090, MFCD07363784, OR5765, AKOS015833615, ZINC169746088, AB30762, RTR-026565, AX8229974, TR-026565, ST24021082, V8048, A-3881, 4-(1-Carbonyl-4-carboxypiperidine)benzeneboronic acid, I01-10658, 4-Piperidinecarboxylicacid, 1-(4-boronobenzoyl)- (9CI), 1-[4-(dihydroxyboranyl)benzoyl]piperidine-4-carboxylic acid, C13H16BNO5, 1- PIPERIDINE-4-CARBOXYLICACID, 1-(4-Boronobenzoyl)piperidine-4-carboxylicacid,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.112g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	277.083g/mol
Monoisotopic Mass	277.112g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	98.1A^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	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

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