DTXSID30958368

[2-[3,4-bis(carboxymethyl)phenyl]-1-carboxyethyl]azanium chloride

CAS: 37169-56-5

Molecular Formula	`C13H16ClNO6`
Molecular Weight	317.72 g/mol
Topological Polar Surface Area	140.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	317.06662
Heavy Atoms	21
Complexity	383.0

Chemical Identifiers

CAS Number	37169-56-5
SMILES	`C1=CC(=C(C=C1CC(C(=O)O)[NH3+])CC(=O)O)CC(=O)O.[Cl-]`
InChIKey	`SXKMZEFRTCNFLX-UHFFFAOYSA-N`

📖 Product Overview

DTXSID30958368 (CAS: 37169-56-5) is a chemical compound with molecular formula C13H16ClNO6 and molecular weight 317.72 g/mol. Its IUPAC systematic name is [2-[3,4-bis(carboxymethyl)phenyl]-1-carboxyethyl]azanium chloride. Topological Polar Surface Area 140.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 317.06662 Heavy Atoms 21 Complexity 383.0 InChI Key: SXKMZEFRTCNFLX-UHFFFAOYSA-N. SMILES: C1=CC(=C(C=C1CC(C(=O)O)[NH3+])CC(=O)O)CC(=O)O.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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