4-Methoxy-1-naphthoic acid - CAS 13041-62-8
Catalog: |
BB007109 |
Product Name: |
4-Methoxy-1-naphthoic acid |
CAS: |
13041-62-8 |
Synonyms: |
4-methoxynaphthalene-1-carboxylic acid |
IUPAC Name: | 4-methoxynaphthalene-1-carboxylic acid |
Description: | Used in the preparation of α-aryl/pyridinyl ethanolamines as selective β3 adrenergic receptor agonists. |
Molecular Weight: | 202.21 |
Molecular Formula: | C12H10O3 |
Canonical SMILES: | COC1=CC=C(C2=CC=CC=C21)C(=O)O |
InChI: | InChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14) |
InChI Key: | WRQHSQDGYYDRMX-UHFFFAOYSA-N |
Boiling Point: | 388.7 °C at 760 mmHg |
Appearance: | Light yellow powder |
MDL: | MFCD02575372 |
LogP: | 1.21190 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
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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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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