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
| 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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