LECANORIC ACID

CAS: 480-56-8

Ref. IN-DA00D8OE

Product Information

• Name: LECANORIC ACID
• Synonyms: lecanoric acid, monopotassium salt, Orsellinate depside, 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid, o-orsellinate depside, 2,4-Dihydroxy-6-methylbenzoic acid 4-carboxy-3-hydroxy-5-methylphenyl ester, Lecanoricacid, beta-Resorcylic acid, 6-methyl-, 4-(6-methyl-beta-resorcylate), 4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoic acid, .beta.-Resorcylic acid, 4-(6-methyl-.beta.-resorcylate), 4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid, Benzoic acid, 2,4-dihydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester, Benzoic acid,2,4-dihydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester, Benzoic acid,4-dihydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester, Benzoic Acid, 4-[(2,4-Dihydroxy-6-Methylbenzoyl)Oxy]-2-Hydroxy-6-Methyl-, Lecanoric acid, NSC 249981, β-Resorcylic acid, 6-methyl-, 4-(6-methyl-β-resorcylate), 4-[(2,4-Dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid

Description

Complexity 452
Compound Is Canonicalized Yes
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Exact Mass 318.074g/mol
Formal Charge 0
Heavy Atom Count 23
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 4
Isotope Atom Count 0
Molecular Weight 318.281g/mol
Monoisotopic Mass 318.074g/mol
Rotatable Bond Count 4
Topological Polar Surface Area 124A^2
Undefined Atom Stereocenter Count 0
Undefined Bond Stereocenter Count 0
XLogP3 3.6

• Brand: Indagoo

Chemical properties

• Molecular weight: 318.2782
• Formula: C₁₆H₁₄O₇
• Purity: 98.0%
• InChI: InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)
• InChI key: HEMSJKZDHNSSEW-UHFFFAOYSA-N