Methyl 5,5-dimethoxyvalerate - CAS 23068-91-9
Catalog: |
BB017904 |
Product Name: |
Methyl 5,5-dimethoxyvalerate |
CAS: |
23068-91-9 |
Synonyms: |
methyl 5,5-dimethoxypentanoate |
IUPAC Name: | methyl 5,5-dimethoxypentanoate |
Description: | Methyl 5,5-dimethoxyvalerate (CAS# 23068-91-9) is used as a reagent in the synthesis of cyanine dyes and its conjugates which are useful in noninvasive imaging. |
Molecular Weight: | 176.21 |
Molecular Formula: | C8H16O4 |
Canonical SMILES: | COC(CCCC(=O)OC)OC |
InChI: | InChI=1S/C8H16O4/c1-10-7(9)5-4-6-8(11-2)12-3/h8H,4-6H2,1-3H3 |
InChI Key: | YOFAONQHOIRLCQ-UHFFFAOYSA-N |
Boiling Point: | 70-72 ℃ |
Density: | 1.012 g/cm3 |
Appearance: | Colorless liquid |
LogP: | 0.94860 |
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 |
AU-2014342254-A1 | Near-infrared fluorescent contrast bioimaging agents and methods of use thereof | 20131031 |
AU-2014342254-B2 | Near-infrared fluorescent contrast bioimaging agents and methods of use thereof | 20131031 |
CA-2929116-A1 | Near-infrared fluorescent contrast bioimaging agents and methods of use thereof | 20131031 |
EP-3062825-A1 | Near-infrared fluorescent contrast bioimaging agents and methods of use thereof | 20131031 |
JP-2017503004-A | Near-infrared fluorescence contrast bioimaging agent and method of use thereof | 20131031 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.10485899 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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