Compound C18H26O9

3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid

CAS: 5107-67-5

Molecular Formula	`C18H26O9`
Molecular Weight	386.4 g/mol
LogP	0.1
Topological Polar Surface Area	166.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	12
Exact Mass	386.15768
Heavy Atoms	27
Complexity	522.0

Chemical Identifiers

CAS Number	5107-67-5
SMILES	`C1CC(C(=O)C(C1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O`
InChIKey	`CIVMSMDSVPVXSU-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H26O9 (CAS: 5107-67-5) is a chemical compound with molecular formula C18H26O9 and molecular weight 386.4 g/mol. Its IUPAC systematic name is 3-[1,3,3-tris(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid. LogP 0.1 Topological Polar Surface Area 166.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 12 Exact Mass 386.15768 Heavy Atoms 27 Complexity 522.0 InChI Key: CIVMSMDSVPVXSU-UHFFFAOYSA-N. SMILES: C1CC(C(=O)C(C1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O.

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