2H-1,4-BENZOXAZINE-6-ACETIC ACID, 2-OXO-3-PHENYL-, METHYL ESTER

methyl 2-(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)acetate

CAS: 78587-61-8

Molecular Formula	`C17H13NO4`
Molecular Weight	295.29 g/mol
LogP	2.7
Topological Polar Surface Area	65.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	295.08447
Heavy Atoms	22
Complexity	467.0

Chemical Identifiers

CAS Number	78587-61-8
SMILES	`COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=CC=C3`
InChIKey	`HTQKRAKMGJDOPD-UHFFFAOYSA-N`

📖 Product Overview

2H-1,4-BENZOXAZINE-6-ACETIC ACID, 2-OXO-3-PHENYL-, METHYL ESTER (CAS: 78587-61-8) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.29 g/mol. Its IUPAC systematic name is methyl 2-(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)acetate. LogP 2.7 Topological Polar Surface Area 65.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 295.08447 Heavy Atoms 22 Complexity 467.0 InChI Key: HTQKRAKMGJDOPD-UHFFFAOYSA-N. SMILES: COC(=O)CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=CC=C3.

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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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