2'-Hydroxy-4',5'-dimethoxyacetophenone - CAS 20628-06-2
Catalog: |
BB016114 |
Product Name: |
2'-Hydroxy-4',5'-dimethoxyacetophenone |
CAS: |
20628-06-2 |
Synonyms: |
1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone |
IUPAC Name: | 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone |
Description: | 2'-Hydroxy-4',5'-dimethoxyacetophenone (CAS# 20628-06-2) is a useful reagent in Vilsmeier-Haack reaction. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1O)OC)OC |
InChI: | InChI=1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3 |
InChI Key: | KEQHBVWVKYHDCS-UHFFFAOYSA-N |
Boiling Point: | 332.3 ℃ at 760 mmHg |
Melting Point: | 113-114 ℃ |
Purity: | 95 % |
Density: | 1.172 g/cm3 |
Appearance: | Yellow to tan powder |
MDL: | MFCD00017241 |
LogP: | 1.61200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200124630-A | chromane derivatives, and pharmaceutical composition for preventing or treating neovascular eye disease or cancer containing the same as an active ingredient | 20190424 |
KR-102265190-B1 | Novel chromenone derivatives having substituted biphenyl group and a pharmaceutical composition for prevention or treatment of allergic diseases compring the same | 20190321 |
KR-20200112201-A | Novel chromenone derivatives having substituted biphenyl group and a pharmaceutical composition for prevention or treatment of allergic diseases compring the same | 20190321 |
EP-3720857-B1 | 2-oxo-5h-chromeno[4,3-b]pyridines for use in the treatment of hepatitis b | 20171204 |
JP-2018150293-A | Caged compound and method for producing the same | 20170309 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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