Methyl 8-hydroxy-1-naphthoate - CAS 5247-86-9
Catalog: |
BB042527 |
Product Name: |
Methyl 8-hydroxy-1-naphthoate |
CAS: |
5247-86-9 |
Synonyms: |
8-Hydroxy-naphthalene-1-carboxylic acid methyl ester; SCHEMBL3741831 |
IUPAC Name: | methyl 8-hydroxynaphthalene-1-carboxylate |
Description: | Methyl 8-hydroxy-1-naphthoate (CAS# 5247-86-9 ) is a useful research chemical. |
Molecular Weight: | 202.21 |
Molecular Formula: | C12H10O3 |
Canonical SMILES: | COC(=O)C1=CC=CC2=C1C(=CC=C2)O |
InChI: | InChI=1S/C12H10O3/c1-15-12(14)9-6-2-4-8-5-3-7-10(13)11(8)9/h2-7,13H,1H3 |
InChI Key: | DSFFPEOQMHEQIH-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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