Methyl 3'-Formyl-[1,1'-biphenyl]-3-carboxylate - CAS 386297-59-2

Name: Methyl 3'-Formyl-[1,1'-biphenyl]-3-carboxylate
Brand: BOC Sciences
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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

Technical Data

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:	43.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5