[3-(1,3-benzodioxol-5-yl)-3-carboxypropyl]azanium chloride

CAS: 66859-45-8

Molecular Formula	`C11H14ClNO4`
Molecular Weight	259.68 g/mol
Topological Polar Surface Area	83.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	259.06113
Heavy Atoms	17
Complexity	258.0

Chemical Identifiers

CAS Number	66859-45-8
SMILES	`C1OC2=C(O1)C=C(C=C2)C(CC[NH3+])C(=O)O.[Cl-]`
InChIKey	`KTNQKFIJYUQYFE-UHFFFAOYSA-N`

📖 Product Overview

[3-(1,3-benzodioxol-5-yl)-3-carboxypropyl]azanium chloride (CAS: 66859-45-8) is a chemical compound with molecular formula C11H14ClNO4 and molecular weight 259.68 g/mol. Its IUPAC systematic name is [3-(1,3-benzodioxol-5-yl)-3-carboxypropyl]azanium chloride. Topological Polar Surface Area 83.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 259.06113 Heavy Atoms 17 Complexity 258.0 InChI Key: KTNQKFIJYUQYFE-UHFFFAOYSA-N. SMILES: C1OC2=C(O1)C=C(C=C2)C(CC[NH3+])C(=O)O.[Cl-].

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