2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid

CAS: 21722-66-7

Molecular Formula	`C20H17NO6`
Molecular Weight	367.4 g/mol
LogP	3.5
Topological Polar Surface Area	87.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	367.1056
Heavy Atoms	27
Complexity	583.0

Chemical Identifiers

CAS Number	21722-66-7
SMILES	`CC1=C(C2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)OC)CC(=O)O`
InChIKey	`SRAJRUYJYFSKSZ-UHFFFAOYSA-N`

📖 Product Overview

2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid (CAS: 21722-66-7) is a chemical compound with molecular formula C20H17NO6 and molecular weight 367.4 g/mol. Its IUPAC systematic name is 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid. LogP 3.5 Topological Polar Surface Area 87.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 367.1056 Heavy Atoms 27 Complexity 583.0 InChI Key: SRAJRUYJYFSKSZ-UHFFFAOYSA-N. SMILES: CC1=C(C2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)OC)CC(=O)O.

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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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