Compound C22H31NO11

2-(diethylamino)ethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate;2-hydroxypropane-1,2,3-tricarboxylic acid

CAS: 50836-12-9

Molecular Formula	`C22H31NO11`
Molecular Weight	485.5 g/mol
Topological Polar Surface Area	180.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	13
Exact Mass	485.1897
Heavy Atoms	34
Complexity	557.0

Chemical Identifiers

CAS Number	50836-12-9
SMILES	`CCN(CC)CCOC(=O)CC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O`
InChIKey	`XGYJPDGPSTWMTO-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H31NO11 (CAS: 50836-12-9) is a chemical compound with molecular formula C22H31NO11 and molecular weight 485.5 g/mol. Its IUPAC systematic name is 2-(diethylamino)ethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate;2-hydroxypropane-1,2,3-tricarboxylic acid. Topological Polar Surface Area 180.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 13 Exact Mass 485.1897 Heavy Atoms 34 Complexity 557.0 InChI Key: XGYJPDGPSTWMTO-UHFFFAOYSA-N. SMILES: CCN(CC)CCOC(=O)CC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.

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