AC1L4XFG structure

AC1L4XFG

3-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propyl 3,4,5-trimethoxybenzoate

Also Known As: 3,4,5-Trimethoxybenzoic acid 5-ester with 5-(3-hydroxypropyl)-5-phenylbarbituric acid|3-(2,4,6-trioxo-5-phenylhexahydropyrimidin-5-yl)propyl 3,4,5-trimethoxybenzoate|3-(4,6-Dihydroxy-2-oxo-5-phenyl-2,5-dihydropyrimidin-5-yl)propyl 3,4,5-trimethoxybenzoate|Benzoic acid, 3,4,5-trimethoxy-, 5-ester with 5-(3-hydroxypropyl)-5-phenylbarbituric acid|3-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propyl 3,4,5-trimethoxybenzoate|3,4,5-trimethoxy-benzoic acid 3-(2,4,6-trioxo-5-phenyl-hexahydro-pyrimidin-5-yl)-propyl ester

CAS: 3852-34-4
Molecular Formula C23H24N2O8
Molecular Weight 456.15326 g/mol
LogP 2.5
Topological Polar Surface Area 129.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 10
Exact Mass 456.15326
Monoisotopic Mass 456.15326
Heavy Atoms 33
Complexity 702.0

Chemical Identifiers

CAS Number 3852-34-4
SMILES COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChIKey VNVCNOOKZKEVIN-UHFFFAOYSA-N

Product Overview

AC1L4XFG (CAS 3852-34-4), with molecular formula C23H24N2O8 and molecular weight 456.15326 g/mol. IUPAC: 3-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propyl 3,4,5-trimethoxybenzoate.

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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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