5-Methoxy-2-phenylbenzoic acid - CAS 92254-27-8
Catalog: |
BB056526 |
Product Name: |
5-Methoxy-2-phenylbenzoic acid |
CAS: |
92254-27-8 |
Synonyms: |
5-methoxy-2-phenylbenzoic acid; 4-Methoxy-[1,1'-biphenyl]-2-carboxylic acid; 4-Methoxy-2-biphenylcarboxylic acid; 4-Methoxybiphenyl-2-carboxylic acid |
IUPAC Name: | 5-methoxy-2-phenylbenzoic acid |
Description: | 5-Methoxy-2-phenylbenzoic acid |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | COC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C14H12O3/c1-17-11-7-8-12(13(9-11)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16) |
InChI Key: | FNXYJNSEVNHBFK-UHFFFAOYSA-N |
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: | 2.9 |
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