AG0070C9

22090-27-3 | 4-(1-Pyrrolidinyl)Benzoic Acid

AG0070C9

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CAS Number	22090-27-3
Catalog Number	AG0070C9(AGN-PC-0KL7L3)
Chemical Name	4-(1-Pyrrolidinyl)Benzoic Acid
IUPAC Name	4-pyrrolidin-1-ylbenzoic acid
InChI	InChI=1S/C11H13NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H,13,14)
InChI Key	KPCBFFYRSJPCJH-UHFFFAOYSA-N
MDL Number	MFCD01631241
Molecular Formula	C11H13NO2
Molecular Weight	191.2264
SMILES	OC(=O)C1=CC=C(C=C1)N1CCCC1
Synonyms	22090-27-3, 4-(pyrrolidin-1-yl)benzoic acid, 4-Pyrrolidin-1-yl-benzoic acid, 4-(1-PYRROLIDINYL)BENZOIC ACID, 4-pyrrolidin-1-ylbenzoic acid, 4-(1-Pyrrolidinyl)benzenecarboxylic acid, 4-pyrrolidinylbenzoic acid, F3099-6581, Benzoic acid, 4-(1-pyrrolidinyl)-, AC1MDTJR, PubChem19562, BAS 12433476, Oprea1_055593, SCHEMBL419882, 1-(4-Carboxyphenyl)pyrrolidine, Jsp004490, CHEMBL3593490, CTK4E8527, KS-00000NQC, DTXSID10383735, KPCBFFYRSJPCJH-UHFFFAOYSA-N, HMS1697K21, Benzoic acid,4-(1-pyrrolidinyl)-, ZINC2574945, ANW-71521, BBL009664, MFCD01631241, SBB009596, STK318150, AKOS000104827, AC-2825, BD-0212, CS-W007278, MCULE-9756280564, RP03780, 4-(1-Pyrrolidinyl)benzoic acid, 97%, AJ-42283, AN-13563, SC-27485, SY003056, TR-010398, BB 0217630, FT-0677754, ST45055064, Y8320, EN300-92380, MFCD01631241 (95%), K-6263, AF-399/15539058, W-206730, I14-18579, C11H13NO2, CID2795515, 1-(4-methoxyphenyl)-1-pyridin-4-ylmethanamine, 4-(1-Pyrrolidinyl)benzoic acid, 97% - 1G 1g,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.23g/mol
Monoisotopic Mass	191.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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