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127448-92-4 | Benzoic acid, 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-
CAS No: 127448-92-4 Catalog No: AG000X3E MDL No:
Product Description
Catalog Number:
AG000X3E
Chemical Name:
Benzoic acid, 4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-
CAS Number:
127448-92-4
Molecular Formula:
C15H10O7
Molecular Weight:
302.2357
IUPAC Name:
4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxybenzoic acid
InChI:
InChI=1S/C15H10O7/c16-6-8-4-7(15(21)22)5-11(19)12(8)14(20)13-9(17)2-1-3-10(13)18/h1-6,17-19H,(H,21,22)
InChI Key:
INVAPAXTQZQLGN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1C(=O)c1c(O)cccc1O)O)C(=O)O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.043g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
302.238g/mol
Monoisotopic Mass:
302.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Anti-influenza virus polyketides from the acid-tolerant fungus Penicillium purpurogenum JS03-21. | Journal of natural products 20110923 |
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