AG003I42

35271-74-0 | 3-(4-Chlorophenyl)pentanedioic acid

AG003I42

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CAS Number	35271-74-0
Catalog Number	AG003I42(AGN-PC-07Y4FV)
Chemical Name	3-(4-Chlorophenyl)pentanedioic acid
EC Number	252-477-1
IUPAC Name	3-(4-chlorophenyl)pentanedioic acid
InChI	InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
InChI Key	URXVLIVRJJNJII-UHFFFAOYSA-N
MDL Number	MFCD00190249
Molecular Formula	C11H11ClO4
Molecular Weight	242.6556
SMILES	O=C(O)CC(C1=CC=C(Cl)C=C1)CC(O)=O
Synonyms	3-(4-chlorophenyl)pentanedioic acid, 35271-74-0, 3-(4-Chlorophenyl)glutaric acid, Pentanedioic acid, 3-(4-chlorophenyl)-, 3-(4-Chlorophenyl) glutarate, URXVLIVRJJNJII-UHFFFAOYSA-N, 3-(4-CHLOROPHENYL)-PENTANEDIOIC ACID, b-(4-Chlorophenyl) glutaric acid, EINECS 252-477-1, ZERO/006271, Baclofen Impurity 1, PubChem19495, ACMC-20a0il, AC1LCV6C, Maybridge1_006241, Oprea1_702129, KSC489O0T, SCHEMBL391659, CS-WAA0108, Jsp006356, 3-(p-Chlorophenyl)glutaric acid, CTK3I9709, HMS559D15, KS-00000CAY, DTXSID80188759, 3-(4-chlorophenyl) glutaric acid, beta-(4-Chlorophenyl)glutaric acid, 3-(4-Chlorophenyl)pentanedioicAcid, ALBB-010225, ZINC4253570, ANW-51595, BBL015108, CCG-45938, MFCD00190249, SBB013989, STK664062, AKOS003368105, CS-W010273, MCULE-3884262533, RTR-014606, TRA0041103, AC-19667, AJ-49713, AK-47389, BR-47389, DS-14367, L364, SC-26754, SY001983, AB0014665, DB-021647, ST4131912, TR-014606, AM20060450, FT-0613656, ST24032564, EN300-93915, M-5033, MFCD00190249 (97+%), 271C740, A822705, I01-1609, SR-01000635675-1, W-106683, n-tert-butoxycarbonyl-1-aminocyclopentanecarboxylic acid, Z1270207954, A4141/0176466, 3- glutaricacid, N-Boc-cycloleucine, C11H11ClO4, cc-214, C11-H11-Cl-O4, CID607276, ACN-028511,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.035g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	242.655g/mol
Monoisotopic Mass	242.035g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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