Methyl 3'-Formyl-[1,1'-biphenyl]-3-carboxylate - CAS 386297-59-2
Catalog: |
BB059691 |
Product Name: |
Methyl 3'-Formyl-[1,1'-biphenyl]-3-carboxylate |
CAS: |
386297-59-2 |
Synonyms: |
Methyl 3-(3-formylphenyl)benzoate; Methyl 3'-formyl-[1,1'-biphenyl]-3-carboxylate; Methyl 3'-formylbiphenyl-3-carboxylate; methyl 3'-formyl[1,1'-biphenyl]-3-carboxylate |
IUPAC Name: | methyl 3-(3-formylphenyl)benzoate |
Description: | Methyl 3'-Formyl-[1,1'-biphenyl]-3-carboxylate acts as a reagent in the synthesis of biphenylcarboxamide compounds as GPR14 antagonists or somatostatin receptor regulators for therapeutic agents. |
Molecular Weight: | 240.25 |
Molecular Formula: | C15H12O3 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1)C2=CC=CC(=C2)C=O |
InChI: | InChI=1S/C15H12O3/c1-18-15(17)14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-16/h2-10H,1H3 |
InChI Key: | CPAIYDIGLIGAEN-UHFFFAOYSA-N |
References: | Tarui, N., et al. From PCT Int. Appl. (2002), WO 2002000606 A1 20020103. |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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