AG001X59

16713-66-9 | 1,1-Cyclopentanediacetic Acid

AG001X59

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CAS Number	16713-66-9
Catalog Number	AG001X59(AGN-PC-0JLVRS)
Chemical Name	1,1-Cyclopentanediacetic Acid
EC Number	240-761-8
IUPAC Name	2-[1-(carboxymethyl)cyclopentyl]acetic acid
InChI	InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
InChI Key	FWPVKDFOUXHOKQ-UHFFFAOYSA-N
MDL Number	MFCD00001388
Molecular Formula	C9H14O4
Molecular Weight	186.2051
NSC Number	39838
SMILES	C1(CCCC1)(CC(=O)O)CC(=O)O
Synonyms	3,3'-tetramethyleneglutaric acid, 3,3-tetramethyleneglutaric acid, 3-TMGA, tetramethylene glutaric acid, 1,1-Cyclopentanediacetic acid, 16713-66-9, 3,3-Tetramethyleneglutaric acid, Cyclopentane-1,1-diacetic acid, Cyclopentanediacetic acid, Tetramethyleneglutaric acid, Tetramethylene glutaric acid, 2-[1-(carboxymethyl)cyclopentyl]acetic acid, 2,2'-(Cyclopentane-1,1-diyl)diacetic acid, 1,1-Cyclopentanediaceticacid, CHEMBL80679, FWPVKDFOUXHOKQ-UHFFFAOYSA-N, 3,3'-Tetramethylene glutaric acid, MFCD00001388, (1-Carboxymethyl-cyclopentyl)-acetic acid, 2,2-(Cyclopentane-1,1-diyl)diacetic acid, EINECS 240-761-8, ACMC-209dvp, AC1Q5VGP, ChemDiv2_000129, SCHEMBL337085, AC1L39Q0, Jsp003374, CTK0H5956, 3,3-tetramethylene glutaric acid, DTXSID60168231, HMS1369F19, ZINC249320, KS-000013HM, NSC39838, beta,beta-tetramethyleneglutaric acid, ANW-22259, BDBM50022418, NSC-39838, AKOS001609433, 3,3-Tetramethyleneglutaric acid, 99%, CCG-104473, CS-W016907, MCULE-3522338549, NE10094, NCGC00322238-01, .beta.,.beta.-tetramethyleneglutaric acid, [1-(carboxymethyl)cyclopentyl]acetic acid, 2-[(carboxymethyl)cyclopentyl]acetic acid, AC-28906, AJ-18370, AY-20037, SY048952, RT-001508, FT-0614099, ST50307955, MFCD00001388 (97%), (1-Carboxymethyl-cyclopentyl)-acetic acid(TMG), AB01318135-02, 2-[1-(2-hydroxy-2-oxoethyl)cyclopentyl]acetic acid, I04-9994, W-107912, Z1258992629, InChI=1/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13, p-Octylbenzenesulfonic acid, 4-Octylbenzenesulfonic acid, Benzenesulfonic acid, 4-octyl-, C14H22O3S, C9H14O4, KST-1B0930, CID85558, AR-1B4477, c0838, C14-H22-O3-S, C9-H14-O4, 17012-98-5, TMG,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.089g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.207g/mol
Monoisotopic Mass	186.089g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number