AC1O74HV structure

AC1O74HV

3-[5-[(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Also Known As: (Z)-3-(5-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid|3-(5-{(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid|3-[5-[(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid|3-[5-[[1-(2-furylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furyl]benzoic Acid

CAS: 799784-71-7
Molecular Formula C21H14N2O7
Molecular Weight 406.0801 g/mol
LogP 2.8998
Topological Polar Surface Area 130.06 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 406.0801
Monoisotopic Mass 406.0801
Heavy Atoms 30
Complexity 1187.6777

Chemical Identifiers

CAS Number 799784-71-7
SMILES C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)N(C3=O)CC4=CC=CO4

Product Overview

AC1O74HV (CAS 799784-71-7), with molecular formula C21H14N2O7 and molecular weight 406.0801 g/mol. IUPAC: 3-[5-[(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid.

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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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