CAS 3786-91-2 | Cyclopentane-1,2,3,4-tetracarboxylic acid | CAS Number 3786-91-2

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3786-91-2 | Cyclopentane-1,2,3,4-tetracarboxylic acid

CAS No: 3786-91-2 Catalog No: AG003D9Q MDL No:

Product Description

Catalog Number:

AG003D9Q

Chemical Name:

Cyclopentane-1,2,3,4-tetracarboxylic acid

CAS Number:

3786-91-2

Molecular Formula:

C9H10O8

Molecular Weight:

246.1709

IUPAC Name:

cyclopentane-1,2,3,4-tetracarboxylic acid

InChI:

InChI=1S/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)

InChI Key:

WOSVXXBNNCUXMT-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC(C(C1C(=O)O)C(=O)O)C(=O)O

Properties

Complexity:

351

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.171g/mol

Monoisotopic Mass:

246.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

149A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.5

Literature

Title	Journal
2,2'-Bipyridine-cyclo-pentane-1,2,3,4-tetra-carb-oxy-lic acid (1/1).	Acta crystallographica. Section E, Structure reports online 20110801
Identification and quantification of cotton-bound, cyclic polycarboxylic acids by means of isocratic HPLC.	Analytical and bioanalytical chemistry 20040901