BRN 4531335

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

CAS: 78587-64-1

Molecular Formula	`C18H15NO4`
Molecular Weight	309.3 g/mol
LogP	3.1
Topological Polar Surface Area	65.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	309.1001
Heavy Atoms	23
Complexity	493.0

Chemical Identifiers

CAS Number	78587-64-1
SMILES	`CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)CC(=O)OC)OC2=O`
InChIKey	`XRNMFZFFAQJGKU-UHFFFAOYSA-N`

📖 Product Overview

BRN 4531335 (CAS: 78587-64-1) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.3 g/mol. Its IUPAC systematic name is methyl 2-[3-(4-methylphenyl)-2-oxo-1,4-benzoxazin-6-yl]acetate. LogP 3.1 Topological Polar Surface Area 65.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 309.1001 Heavy Atoms 23 Complexity 493.0 InChI Key: XRNMFZFFAQJGKU-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)CC(=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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