BRN 4538686

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

CAS: 78587-70-9

Molecular Formula	`C19H17NO4`
Molecular Weight	323.3 g/mol
LogP	3.7
Topological Polar Surface Area	65.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	323.11575
Heavy Atoms	24
Complexity	521.0

Chemical Identifiers

CAS Number	78587-70-9
SMILES	`CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(C)C(=O)OC)OC2=O`
InChIKey	`WLMOKEHTSFINNA-UHFFFAOYSA-N`

📖 Product Overview

BRN 4538686 (CAS: 78587-70-9) is a chemical compound with molecular formula C19H17NO4 and molecular weight 323.3 g/mol. Its IUPAC systematic name is methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]propanoate. LogP 3.7 Topological Polar Surface Area 65.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 323.11575 Heavy Atoms 24 Complexity 521.0 InChI Key: WLMOKEHTSFINNA-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(C)C(=O)OC)OC2=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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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