3-[(1-Naphthyloxy)methyl]benzoic acid - CAS 438465-54-4
Catalog: |
BB045134 |
Product Name: |
3-[(1-Naphthyloxy)methyl]benzoic acid |
CAS: |
438465-54-4 |
Synonyms: |
3-[(naphthalen-1-yloxy)methyl]benzoic acid |
IUPAC Name: | 3-(naphthalen-1-yloxymethyl)benzoic acid |
Description: | 3-[(1-Naphthyloxy)methyl]benzoic acid (CAS# 438465-54-4 ) is a useful research chemical. |
Molecular Weight: | 278.30 |
Molecular Formula: | C18H14O3 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=C2OCC3=CC(=CC=C3)C(=O)O |
InChI: | InChI=1S/C18H14O3/c19-18(20)15-8-3-5-13(11-15)12-21-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12H2,(H,19,20) |
InChI Key: | DNEWINHTWSXKJK-UHFFFAOYSA-N |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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