3-(4-Methoxy-2-methylphenyl)benzoic acid - CAS 1178070-12-6
Catalog: |
BB059342 |
Product Name: |
3-(4-Methoxy-2-methylphenyl)benzoic acid |
CAS: |
1178070-12-6 |
Synonyms: |
3-(4-METHOXY-2-METHYLPHENYL)BENZOIC ACID;3-(4-METHOXY-2-METHYLPHENYL)BENZOICACID |
IUPAC Name: | 3-(4-methoxy-2-methylphenyl)benzoic acid |
Description: | 3-(4-Methoxy-2-methylphenyl)benzoic acid |
Molecular Weight: | 242.27 |
Molecular Formula: | C15H14O3 |
Canonical SMILES: | CC1=C(C=CC(=C1)OC)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C15H14O3/c1-10-8-13(18-2)6-7-14(10)11-4-3-5-12(9-11)15(16)17/h3-9H,1-2H3,(H,16,17) |
InChI Key: | YMUIGLXBLDWLPT-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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