5-Methoxy-3-phenylbenzoic acid - CAS 1214369-81-9
Catalog: |
BB059375 |
Product Name: |
5-Methoxy-3-phenylbenzoic acid |
CAS: |
1214369-81-9 |
Synonyms: |
5-METHOXY-3-PHENYLBENZOIC ACID; 3-methoxy-5-phenylbenzoic acid; 3-Methoxybiphenyl-5-carboxylic acid; 5-METHOXY-3-PHENYLBENZOICACID |
IUPAC Name: | 3-methoxy-5-phenylbenzoic acid |
Description: | 5-Methoxy-3-phenylbenzoic acid |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | COC1=CC(=CC(=C1)C(=O)O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H12O3/c1-17-13-8-11(7-12(9-13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16) |
InChI Key: | RJNXRRZKLNCRKQ-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: | 3 |
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