AG00EB2K

6053-46-9 | 3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic acid 1,4

AG00EB2K

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CAS Number	6053-46-9
Catalog Number	AG00EB2K(AGN-PC-03MNE7)
Chemical Name	3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic acid 1,4
IUPAC Name	4,10-dioxatricyclo[6.3.1.02,7]dodecane-3,5,9,11-tetrone
InChI	InChI=1S/C10H8O6/c11-6-2-3-4-1-5(7(3)10(14)15-6)9(13)16-8(4)12/h3-5,7H,1-2H2
InChI Key	QVEIRZNRYOJFCL-UHFFFAOYSA-N
MDL Number	MFCD22373052
Molecular Formula	C10H8O6
Molecular Weight	224.1669
SMILES	O=C(C(C1C2C3)C3C(OC2=O)=O)OC(C1)=O
Synonyms	6053-46-9, Tetrahydro-1H-5,9-methanopyrano[3,4-d]oxepine-1,3,6,8(4H)-tetraone, 3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic Acid 1,4:2,3-Dianhydride, PubChem24104, TCA-AH, SCHEMBL215947, DTXSID30623701, KS-00000R5S, 9033AB, MFCD22373052, AKOS016011984, DS-6853, AK122930, AX8247108, ST24050130, Tetrahydro-1H-5,9-methanopyrano[3,4-d]oxepine-1,3,6,8(4H)-tetrone, 1-carboxymethyl-2,3,5,cyclopentanetricarboxylicacid-2,6:3,5-dianhydride (TCAAH), C10H8O6, QVEIRZNRYOJFCL-UHFFFAOYSA-N, ACN-053873, C3110, 5,9-Methano-1H-pyrano[3,4-d]oxepin-1,3,6,8(4H)-tetrone, tetrahydro-, TCA,

Complexity	425
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.032g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.168g/mol
Monoisotopic Mass	224.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	86.7A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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