AG00G2X9

766508-67-2 | 3-(Piperidin-4-yl)benzoic acid

AG00G2X9

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CAS Number	766508-67-2
Catalog Number	AG00G2X9(AGN-PC-05W5X8)
Chemical Name	3-(Piperidin-4-yl)benzoic acid
IUPAC Name	3-piperidin-4-ylbenzoic acid
InChI	InChI=1S/C12H15NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,13H,4-7H2,(H,14,15)
InChI Key	ICCKWGCLHGIEQE-UHFFFAOYSA-N
MDL Number	MFCD05864627
Molecular Formula	C12H15NO2
Molecular Weight	205.2530
SMILES	O=C(C1=CC(C2CCNCC2)=CC=C1)O
Synonyms	766508-67-2, 3-(piperidin-4-yl)benzoic acid, 4-(3-Carboxyphenyl)piperidine, 4-(3'-Carboxyphenyl)piperidine, 3-Piperidin-4-yl-benzoic acid, Q-103048, 4-(3 -Carboxyphenyl)piperidine, PubChem23435, 3-piperidin-4-ylbenzoic acid, 3-(4-piperidinyl)benzoic acid, SCHEMBL1633310, DTXSID70654296, ICCKWGCLHGIEQE-UHFFFAOYSA-N, ACT10253, ZINC2559748, 3-(4-PIPERIDYL)BENZOIC ACID, ANW-48441, MFCD05864627, AKOS015897727, AB22862, AS06719, CC-1093, FS-2030, RTR-016995, KS-0000259A, 3-(4-PIPERIDINYL)-BENZOIC ACID, AJ-40349, BR-46198, AB0007424, AX8090202, DB-032112, ST2404844, 3-(piperidin-4-yl)benzoic acid, AldrichCPR, FT-0656936, W8339, S-4724, I12-0270, 4- piperidine, 3-(Piperidin-4-yl)benzoicacid, C12H15NO2, A13454,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.257g/mol
Monoisotopic Mass	205.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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