BRN 4554868

methyl 2-[3-(4-methoxyphenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate

CAS: 78587-71-0

Molecular Formula	`C19H17NO5`
Molecular Weight	339.3 g/mol
LogP	3.3
Topological Polar Surface Area	74.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	339.1107
Heavy Atoms	25
Complexity	538.0

Chemical Identifiers

CAS Number	78587-71-0
SMILES	`CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)OC)C(=O)OC`
InChIKey	`QSQCRFXGTRAENN-UHFFFAOYSA-N`

📖 Product Overview

BRN 4554868 (CAS: 78587-71-0) is a chemical compound with molecular formula C19H17NO5 and molecular weight 339.3 g/mol. Its IUPAC systematic name is methyl 2-[3-(4-methoxyphenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate. LogP 3.3 Topological Polar Surface Area 74.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 339.1107 Heavy Atoms 25 Complexity 538.0 InChI Key: QSQCRFXGTRAENN-UHFFFAOYSA-N. SMILES: CC(C1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=C(C=C3)OC)C(=O)OC.

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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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