3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid

CAS: 47307-06-2

Molecular Formula	`C14H10O9`
Molecular Weight	322.22 g/mol
LogP	1.1
Topological Polar Surface Area	165.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	322.03247
Heavy Atoms	23
Complexity	430.0

Chemical Identifiers

CAS Number	47307-06-2
SMILES	`C1=C(C=C(C(=C1O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)C(=O)O`
InChIKey	`OVPHIYQDYJLKEW-UHFFFAOYSA-N`

📖 Product Overview

3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid (CAS: 47307-06-2) is a chemical compound with molecular formula C14H10O9 and molecular weight 322.22 g/mol. Its IUPAC systematic name is 3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyl)oxybenzoic acid. LogP 1.1 Topological Polar Surface Area 165.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 9 Rotatable Bonds 4 Exact Mass 322.03247 Heavy Atoms 23 Complexity 430.0 InChI Key: OVPHIYQDYJLKEW-UHFFFAOYSA-N. SMILES: C1=C(C=C(C(=C1O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)C(=O)O.

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