4,7-Dimethoxy-1-naphthoic acid - CAS 90381-45-6
Catalog: |
BB039825 |
Product Name: |
4,7-Dimethoxy-1-naphthoic acid |
CAS: |
90381-45-6 |
Synonyms: |
4,7-dimethoxynaphthalene-1-carboxylic acid |
IUPAC Name: | 4,7-dimethoxynaphthalene-1-carboxylic acid |
Description: | 4,7-Dimethoxy-1-naphthoic acid (CAS# 90381-45-6 ) is a useful research chemical. |
Molecular Weight: | 232.23 |
Molecular Formula: | C13H12O4 |
Canonical SMILES: | COC1=CC2=C(C=CC(=C2C=C1)OC)C(=O)O |
InChI: | InChI=1S/C13H12O4/c1-16-8-3-4-9-11(7-8)10(13(14)15)5-6-12(9)17-2/h3-7H,1-2H3,(H,14,15) |
InChI Key: | PCBJZCAKNURVSK-UHFFFAOYSA-N |
Boiling Point: | 423.4 °C at 760 mmHg |
Density: | 1.261 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD06798115 |
LogP: | 2.55520 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3041474-A1 | Antiproliferative compounds | 20130905 |
WO-2015035062-A1 | Antiproliferative compounds | 20130905 |
KR-20150027922-A | Novel antifungal pyridinylhydrazide derivatives | 20130904 |
WO-2015034271-A1 | Novel antifungal pyridinylhydrazide derivatives | 20130904 |
KR-101338510-B1 | Pharmaceutical composition for preventing or treating hepatitis, cirrhosis, or liver cancer containing aminoquinolone compound | 20111209 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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