4-Methoxybiphenyl-3-carboxylic Acid - CAS 107410-07-1

Catalog:	BB075884
Product Name:	4-Methoxybiphenyl-3-carboxylic Acid
CAS:	107410-07-1
Synonyms:	4-Methoxy[1,1'-biphenyl]-3-carboxylic Acid;2-Methoxy-5-phenylbenzoic Acid

Technical Data

IUPAC Name:	2-methoxy-5-phenylbenzoic acid
Description:	4-Methoxybiphenyl-3-carboxylic Acid is a useful reagent for the preparation of polymyxin derivatives as antibacterial agents.
Molecular Weight:	228.24
Molecular Formula:	C14H12O3
Canonical SMILES:	COC1=C(C=C(C=C1)C2=CC=CC=C2)C(=O)O
InChI:	InChI=1S/C14H12O3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)
InChI Key:	NRUOSOAWSBPNPB-UHFFFAOYSA-N
Melting Point:	168 -171 °C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Off-White to Pale Grey Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Chen, J. M., et al. PCT Int. Appl. (2012), WO 2012168820 A1.

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.078644241
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2