1-(3-Methoxyphenyl)-1-heptanone - CAS 100863-37-4
Catalog: |
BB000371 |
Product Name: |
1-(3-Methoxyphenyl)-1-heptanone |
CAS: |
100863-37-4 |
Synonyms: |
1-(3-methoxyphenyl)heptan-1-one |
IUPAC Name: | 1-(3-methoxyphenyl)heptan-1-one |
Description: | 1-(3-Methoxyphenyl)-1-heptanone (CAS# 100863-37-4 ) is a useful research chemical. |
Molecular Weight: | 220.31 |
Molecular Formula: | C14H20O2 |
Canonical SMILES: | CCCCCCC(=O)C1=CC(=CC=C1)OC |
InChI: | InChI=1S/C14H20O2/c1-3-4-5-6-10-14(15)12-8-7-9-13(11-12)16-2/h7-9,11H,3-6,10H2,1-2H3 |
InChI Key: | FIRIFBOVXOXLTG-UHFFFAOYSA-N |
Boiling Point: | 139-144 °C0.5 mmHg (lit.) |
Purity: | 95 % |
Density: | 0.968 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 3.84830 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20190087836-A | Ketide compounds, method for manufacturing, and use for treating diabetes thereof | 20180117 |
KR-102220170-B1 | Ketide compounds, method for manufacturing, and use for treating diabetes thereof | 20180117 |
CA-2592382-A1 | Modulator | 20041221 |
EP-1853538-A2 | Modulator | 20041221 |
JP-2008524196-A | Modulator | 20041221 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.146329876 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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