Methyl 4-(4-formylphenyl)benzoate - CAS 70916-89-1
Catalog: |
BB034266 |
Product Name: |
Methyl 4-(4-formylphenyl)benzoate |
CAS: |
70916-89-1 |
Synonyms: |
methyl 4-(4-formylphenyl)benzoate |
IUPAC Name: | methyl 4-(4-formylphenyl)benzoate |
Description: | Methyl 4-(4-formylphenyl)benzoate (CAS# 70916-89-1) is a useful research chemical. |
Molecular Weight: | 240.25 |
Molecular Formula: | C15H12O3 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C15H12O3/c1-18-15(17)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-10H,1H3 |
InChI Key: | URINKTWOCVLGGR-UHFFFAOYSA-N |
Boiling Point: | 398.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.176 g/cm3 |
MDL: | MFCD04039123 |
LogP: | 2.95270 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2018229139-A1 | Novel compounds for use in cancer | 20170614 |
EP-3592757-A2 | Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes | 20170309 |
US-2018258471-A1 | Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes | 20170309 |
WO-2018162986-A2 | Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes | 20170309 |
US-10738346-B2 | Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes | 20170309 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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