(4-Methoxy-naphthalen-1-yl)-acetic acid - CAS 15257-60-0
Catalog: |
BB059288 |
Product Name: |
(4-Methoxy-naphthalen-1-yl)-acetic acid |
CAS: |
15257-60-0 |
Synonyms: |
(4-Methoxy-naphthalen-1-yl)-acetic acid; 2-(4-methoxynaphthalen-1-yl)acetic acid; (4-methoxynaphthalen-1-yl)acetic acid; 4-Methoxynaphthalene-1-acetic acid |
IUPAC Name: | 2-(4-methoxynaphthalen-1-yl)acetic acid |
Description: | (4-Methoxy-naphthalen-1-yl)-acetic acid |
Molecular Weight: | 216.23 |
Molecular Formula: | C13H12O3 |
Canonical SMILES: | COC1=CC=C(C2=CC=CC=C21)CC(=O)O |
InChI: | InChI=1S/C13H12O3/c1-16-12-7-6-9(8-13(14)15)10-4-2-3-5-11(10)12/h2-7H,8H2,1H3,(H,14,15) |
InChI Key: | FGQVYDBPYSEAMZ-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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