5-(3-Carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid - CAS 13987-45-6
Catalog: |
BB055508 |
Product Name: |
5-(3-Carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid |
CAS: |
13987-45-6 |
Synonyms: |
5-(3-Carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid; 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid; 4,4'-Dihydroxy-[1,1'-biphenyl]-3,3'-dicarboxylic acid; 4,4'-dihydroxy-(1,1'-biphenyl)-3,3'-dicarboxylic acid |
IUPAC Name: | 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid |
Molecular Weight: | 274.23 |
Molecular Formula: | C14H10O6 |
Canonical SMILES: | C1=CC(=C(C=C1C2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O |
InChI: | InChI=1S/C14H10O6/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20) |
InChI Key: | UISWLBIMLGAHMF-UHFFFAOYSA-N |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.04773803 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.04773803 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 115Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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