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 |
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: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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