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202124-79-6 | 2-Dibenzofurancarboxylic acid, 3,7-dihydroxy-9-(hydroxymethyl)-1-methyl-
CAS No: 202124-79-6 Catalog No: AG00282J MDL No:
Product Description
Catalog Number:
AG00282J
Chemical Name:
2-Dibenzofurancarboxylic acid, 3,7-dihydroxy-9-(hydroxymethyl)-1-methyl-
CAS Number:
202124-79-6
Molecular Formula:
C15H12O6
Molecular Weight:
288.2522
IUPAC Name:
3,7-dihydroxy-9-(hydroxymethyl)-1-methyldibenzofuran-2-carboxylic acid
InChI:
InChI=1S/C15H12O6/c1-6-12(15(19)20)9(18)4-11-13(6)14-7(5-16)2-8(17)3-10(14)21-11/h2-4,16-18H,5H2,1H3,(H,19,20)
InChI Key:
SKMSPRLCPQGHNI-UHFFFAOYSA-N
SMILES:
OCc1cc(O)cc2c1c1c(o2)cc(c(c1C)C(=O)O)O
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
288.255g/mol
Monoisotopic Mass:
288.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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