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

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

CAS No.:
3786-91-2
Catalog Number:
AG003D9Q
Molecular Formula:
C9H10O8
Molecular Weight:
246.1709
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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
MDL Number:
MFCD00001377
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.038g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
246.171g/mol
Monoisotopic Mass:
246.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
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
Properties