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100288-12-8 | 3-Benzofurancarboxylic acid, 5,6-dihydroxy-2-(2,4,6-trihydroxyphenyl)-
CAS No: 100288-12-8 Catalog No: AG0001GU MDL No:
Product Description
Catalog Number:
AG0001GU
Chemical Name:
3-Benzofurancarboxylic acid, 5,6-dihydroxy-2-(2,4,6-trihydroxyphenyl)-
CAS Number:
100288-12-8
Molecular Formula:
C15H10O8
Molecular Weight:
318.2351
IUPAC Name:
5,6-dihydroxy-2-(2,4,6-trihydroxyphenyl)-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C15H10O8/c16-5-1-9(19)13(10(20)2-5)14-12(15(21)22)6-3-7(17)8(18)4-11(6)23-14/h1-4,16-20H,(H,21,22)
InChI Key:
OYMZVRJQIIYPTP-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c(c1)O)c1oc2c(c1C(=O)O)cc(c(c2)O)O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.038g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
318.237g/mol
Monoisotopic Mass:
318.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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