Biphenyl-3-carboxylic acid - CAS 716-76-7
Catalog: |
BB034448 |
Product Name: |
Biphenyl-3-carboxylic acid |
CAS: |
716-76-7 |
Synonyms: |
3-phenylbenzoic acid |
IUPAC Name: | 3-phenylbenzoic acid |
Description: | Biphenyl-3-carboxylic acid (CAS# 716-76-7) is a ortho-substituted biphenyl with inhibitory effect on glyceride synthesis. 3-Biphenylcarboxylic Acid is an anlogue of Diflusinal (D445751) and shows allosteric modulatory effects. |
Molecular Weight: | 198.22 |
Molecular Formula: | C13H10O2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15) |
InChI Key: | XNLWJFYYOIRPIO-UHFFFAOYSA-N |
Boiling Point: | 392.2 °C at 760 mmHg |
Melting Point: | 164-169 °C |
Purity: | 96 % |
Density: | 1.185 g/cm3 |
Appearance: | Off-white to beige crystalline powder |
MDL: | MFCD00045846 |
LogP: | 3.05180 |
GHS Hazard Statement: | H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111269208-A | Trolox alcohol ester derivative and preparation method and application thereof | 20200409 |
WO-2021194228-A1 | Pharmaceutical composition for prevention or treatment of cancer | 20200323 |
CN-111151297-A | Catalyst for phosgenation reaction and phosgenation reaction method | 20200119 |
CN-111151297-B | Catalyst for phosgenation reaction and phosgenation reaction method | 20200119 |
WO-2021143194-A1 | Catalyst for phosgenation reaction and phosgenation reaction method | 20200119 |
PMID | Publication Date | Title | Journal |
15801837 | 20050407 | Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach | Journal of medicinal chemistry |
14711308 | 20040115 | Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis | Journal of medicinal chemistry |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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