4-[(5-methyl-2-oxo-3-prop-2-enyloxolane-3-carbonyl)carbamoylamino]benzoic acid

CAS: 41205-47-4

Molecular Formula	`C17H18N2O6`
Molecular Weight	346.3 g/mol
LogP	2.9
Topological Polar Surface Area	122.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	346.1165
Heavy Atoms	25
Complexity	582.0

Chemical Identifiers

CAS Number	41205-47-4
SMILES	`CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)C(=O)O`
InChIKey	`PFNFSHYWOXSVHR-UHFFFAOYSA-N`

📖 Product Overview

4-[(5-methyl-2-oxo-3-prop-2-enyloxolane-3-carbonyl)carbamoylamino]benzoic acid (CAS: 41205-47-4) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.3 g/mol. Its IUPAC systematic name is 4-[(5-methyl-2-oxo-3-prop-2-enyloxolane-3-carbonyl)carbamoylamino]benzoic acid. LogP 2.9 Topological Polar Surface Area 122.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 346.1165 Heavy Atoms 25 Complexity 582.0 InChI Key: PFNFSHYWOXSVHR-UHFFFAOYSA-N. SMILES: CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)C(=O)O.

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