Compound C12H15N3O9

3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid

CAS: 2904-41-8

Molecular Formula	`C12H15N3O9`
Molecular Weight	345.26 g/mol
LogP	-2.1
Topological Polar Surface Area	173.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	345.08084
Heavy Atoms	24
Complexity	483.0

Chemical Identifiers

CAS Number	2904-41-8
SMILES	`C(CN1C(=O)N(C(=O)N(C1=O)CCC(=O)O)CCC(=O)O)C(=O)O`
InChIKey	`HENCHDCLZDQGIQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H15N3O9 (CAS: 2904-41-8) is a chemical compound with molecular formula C12H15N3O9 and molecular weight 345.26 g/mol. Its IUPAC systematic name is 3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid. LogP -2.1 Topological Polar Surface Area 173.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 9 Exact Mass 345.08084 Heavy Atoms 24 Complexity 483.0 InChI Key: HENCHDCLZDQGIQ-UHFFFAOYSA-N. SMILES: C(CN1C(=O)N(C(=O)N(C1=O)CCC(=O)O)CCC(=O)O)C(=O)O.

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