AG004XRK

828243-30-7 | 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid

AG004XRK

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CAS Number	828243-30-7
Catalog Number	AG004XRK(AGN-PC-07A7XF)
Chemical Name	3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid
IUPAC Name	3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
InChI	InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-9-7-12(8-10-18)13-5-4-6-14(11-13)15(19)20/h4-6,11-12H,7-10H2,1-3H3,(H,19,20)
InChI Key	PDPYHAXCPUSEMT-UHFFFAOYSA-N
MDL Number	MFCD02178898
Molecular Formula	C17H23NO4
Molecular Weight	305.3688
SMILES	O=C(O)C1=CC=CC(C2CCN(C(OC(C)(C)C)=O)CC2)=C1
Synonyms	828243-30-7, 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid, 1-Boc-4-(3-Carboxy-phenyl)-piperidine, 4-(3-CARBOXY-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 1-Boc-4-(3-Carboxyphenyl)Piperidine, AK-84109, N-BOC-4-(3-CARBOXYPHENYL) PIPERIDINE, 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid, 3-[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]BENZOIC ACID, PubChem23404, SCHEMBL226123, CTK8B4859, KS-00000PRD, DTXSID30662837, PDPYHAXCPUSEMT-UHFFFAOYSA-N, ACT10379, ZINC2577347, ANW-46542, MFCD02178898, RW1123, AKOS015998702, 1-Boc-4-(3-carboxy-phenyl)piperidine, AS06698, GS-3795, PB19969, AJ-42605, AB0007534, AX8226536, DB-012000, RT-006222, 4CH-011478, CS-0054810, FT-0703398, ST24022517, W8642, Q-1358, A840453, 3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}benzoic acid, 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid, AldrichCPR, 3-(1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-piperidinyl)benzoic acid, 4-(3-carboxyphenyl)piperidine-1-carboxylic acid tert-butyl ester, 3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]benzoic acid, 4-(3-CARBOXYPHENYL)-1-PIPERIDINECARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL)ESTER, 3-(1- BENZOICACID, C17H23NO4, 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoicacid,

Complexity	407
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.163g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	305.374g/mol
Monoisotopic Mass	305.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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