BRN 1040722

2-[6-methyl-5-(4-methylbenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid

CAS: 37585-59-4

Molecular Formula	`C20H17NO5`
Molecular Weight	351.4 g/mol
LogP	3.8
Topological Polar Surface Area	77.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	351.1107
Heavy Atoms	26
Complexity	558.0

Chemical Identifiers

CAS Number	37585-59-4
SMILES	`CC1=CC=C(C=C1)C(=O)N2C(=C(C3=CC4=C(C=C32)OCO4)CC(=O)O)C`
InChIKey	`LBJXJCKHTNSLIN-UHFFFAOYSA-N`

📖 Product Overview

BRN 1040722 (CAS: 37585-59-4) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.4 g/mol. Its IUPAC systematic name is 2-[6-methyl-5-(4-methylbenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid. LogP 3.8 Topological Polar Surface Area 77.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 351.1107 Heavy Atoms 26 Complexity 558.0 InChI Key: LBJXJCKHTNSLIN-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)C(=O)N2C(=C(C3=CC4=C(C=C32)OCO4)CC(=O)O)C.

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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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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