AG003HZR

72548-79-9 | 3-Pyrrolidin-1-yl-benzoic acid

AG003HZR

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CAS Number	72548-79-9
Catalog Number	AG003HZR(AGN-PC-0JUDRJ)
Chemical Name	3-Pyrrolidin-1-yl-benzoic acid
IUPAC Name	3-pyrrolidin-1-ylbenzoic acid
InChI	InChI=1S/C11H13NO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,13,14)
InChI Key	HRVWGEKZONYEMK-UHFFFAOYSA-N
MDL Number	MFCD03426724
Molecular Formula	C11H13NO2
Molecular Weight	191.2264
SMILES	O=C(O)C1=CC=CC(N2CCCC2)=C1
Synonyms	3-(pyrrolidin-1-yl)benzoic acid, 72548-79-9, 3-pyrrolidin-1-ylbenzoic acid, 3-Pyrrolidin-1-yl-benzoic acid, 3-(1-pyrrolidinyl)benzoic acid, MLS000124101, HRVWGEKZONYEMK-UHFFFAOYSA-N, Benzoic acid, 3-(1-pyrrolidinyl)-, SMR000013242, 3-pyrrolidinylbenzoic acid, ZERO/005081, AC1LCKND, PubChem19568, 3-pyrrolidinobenzoic acid, ChemDiv2_002577, 3-(1-Pyrrolidinyl)benzoicAcid, cid_651721, SCHEMBL1517203, 1-(3-Carboxyphenyl)pyrrolidine, CHEMBL1588787, BDBM55984, KS-00000CCN, DTXSID90349531, HMS1376F03, HMS2330I23, ZINC112514, Benzoic acid,3-(1-pyrrolidinyl)-, BBL009665, KM1486, MFCD03426724, SBB002502, STK204988, 4-(1,3-Thiazol-2-yl)benzylalcohol, AKOS000103045, Benzoic acid, 3-(pyrrolidin-1-yl)-, AC-2828, MCULE-3571595012, RP03782, TRA0080612, AJ-11388, AK-36226, AN-13566, BAS 05270225, SC-27962, SY003059, TS-02694, AB0042068, ST4094289, TR-023690, BB 0217861, FT-0648048, Y9921, MFCD03426724 (97+%), J-513098, I14-17427, Z57352018, C11H13NO2, (4-(thiazol-2-yl)phenyl)methanol, CID651721, 3-PYRROLIDIN-1-YL-BENZOICACID, A7157, 454678-91-2,

Complexity	211
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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