2',5'-Dimethoxypropiophenone - CAS 5803-30-5
Catalog: |
BB029911 |
Product Name: |
2',5'-Dimethoxypropiophenone |
CAS: |
5803-30-5 |
Synonyms: |
1-(2,5-dimethoxyphenyl)-1-propanone; 1-(2,5-dimethoxyphenyl)propan-1-one |
IUPAC Name: | 1-(2,5-dimethoxyphenyl)propan-1-one |
Description: | 2',5'-Dimethoxypropiophenone (CAS# 5803-30-5) is a component of essential oils of some plants in the Asarum genus. It is also a useful building block and has been used in the preparation of methoxamine hydrochloride. |
Molecular Weight: | 194.23 |
Molecular Formula: | C11H14O3 |
Canonical SMILES: | CCC(=O)C1=C(C=CC(=C1)OC)OC |
InChI: | InChI=1S/C11H14O3/c1-4-10(12)9-7-8(13-2)5-6-11(9)14-3/h5-7H,4H2,1-3H3 |
InChI Key: | DKVCHMQHUMLKPO-UHFFFAOYSA-N |
Boiling Point: | 291.9 ℃ at 760 mmHg |
Density: | 1.047 g/cm3 |
LogP: | 2.60660 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2014194452-A1 | Pyrazolyl-Based Carboxamides II | 20130110 |
US-9078899-B2 | Pyrazolyl-based carboxamides II | 20130110 |
WO-2014108336-A1 | Pyrazolyl-based carboxamides ii as crac channel inhibitors | 20130110 |
US-8492548-B2 | Alkaloid aminoester derivatives and medicinal compositions thereof | 20100622 |
JP-2008297235-A | Process for producing optically active perfluoroalkyl group-containing compound | 20070531 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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