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6-[(2E)-but-2-en-2-yl]-4-{6-[(2E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyloxy}-2-hydroxy-3-methylbenzoic acid

6-[(2E)-but-2-en-2-yl]-4-{6-[(2E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyloxy}-2-hydroxy-3-methylbenzoic acid

CAS: 445298-41-9

Formula: C24H26O7

SMILES: CC=C(/C)C1=CC(OC(=O)C2=C(O)C(C)=C(O)C=C2C(C)=CC)=C(C)C(O)=C1C(O)=O

IUPAC: 6-[(2E)-but-2-en-2-yl]-4-{6-[(2E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyloxy}-2-hydroxy-3-methylbenzoic acid

InChI: InChI=1S/C24H26O7/c1-7-11(3)15-9-17(25)13(5)21(26)20(15)24(30)31-18-10-16(12(4)8-2)19(23(28)29)22(27)14(18)6/h7-10,25-27H,1-6H3,(H,28,29)/b11-7+,12-8+

Composition: C (67.59%), H (6.15%), O (26.26%)

Molar Mass: 426.465

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 426.167853177
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey LFTHRDXERPBJOF-MKICQXMISA-N
Lipinski's Rule of Five
Molar Refractivity 120.43
Topological Polar Surface Area 124.29
Polarizability 44.42
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 445298-41-9 $290.61-$672.98$290.61$672.98
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