DTXSID30859321

2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid

CAS: 1448049-50-0

Molecular Formula	`C20H18ClNO6`
Molecular Weight	403.8 g/mol
LogP	4.7
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	403.08228
Heavy Atoms	28
Complexity	608.0

Chemical Identifiers

CAS Number	1448049-50-0
SMILES	`CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl`
InChIKey	`RWQKHEORZBHNRI-UHFFFAOYSA-N`

📖 Product Overview

DTXSID30859321 (CAS: 1448049-50-0) is a chemical compound with molecular formula C20H18ClNO6 and molecular weight 403.8 g/mol. Its IUPAC systematic name is 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid. LogP 4.7 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 403.08228 Heavy Atoms 28 Complexity 608.0 InChI Key: RWQKHEORZBHNRI-UHFFFAOYSA-N. SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl.

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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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