Diethyl 5-(hydroxymethyl)isophthalate - CAS 181425-91-2
Catalog: |
BB013812 |
Product Name: |
Diethyl 5-(hydroxymethyl)isophthalate |
CAS: |
181425-91-2 |
Synonyms: |
diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate |
IUPAC Name: | diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate |
Description: | Diethyl 5-(hydroxymethyl)isophthalate (CAS# 181425-91-2 ) is a useful research chemical. |
Molecular Weight: | 252.26 |
Molecular Formula: | C13H16O5 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=C1)CO)C(=O)OCC |
InChI: | InChI=1S/C13H16O5/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-7,14H,3-4,8H2,1-2H3 |
InChI Key: | AMRPMZYDTZVKTP-UHFFFAOYSA-N |
Boiling Point: | 398.6 °C at 760 mmHg |
Density: | 1.189 g/cm3 |
MDL: | MFCD00239424 |
LogP: | 1.53230 |
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 |
JP-2014189768-A | Organic dye and photosensitive element | 20130328 |
JP-6056605-B2 | Organic dye and photosensitive element | 20130328 |
AU-2014224205-A1 | Lipids and lipid compositions for the delivery of active agents | 20130308 |
AU-2014224205-B2 | Lipids and lipid compositions for the delivery of active agents | 20130308 |
AU-2014224205-C1 | Lipids and lipid compositions for the delivery of active agents | 20130308 |
PMID | Publication Date | Title | Journal |
19438240 | 20090709 | Design, synthesis, and biological activity of isophthalic acid derivatives targeted to the C1 domain of protein kinase C | Journal of medicinal chemistry |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.09977361 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.09977361 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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