3-(4-tert-Butylphenoxy)benzaldehyde - CAS 69770-23-6
Catalog: |
BB033964 |
Product Name: |
3-(4-tert-Butylphenoxy)benzaldehyde |
CAS: |
69770-23-6 |
Synonyms: |
3-(4-tert-butylphenoxy)benzaldehyde |
IUPAC Name: | 3-(4-tert-butylphenoxy)benzaldehyde |
Description: | 3-(4-tert-Butylphenoxy)benzaldehyde (CAS# 69770-23-6 ) is a useful research chemical. |
Molecular Weight: | 254.32 |
Molecular Formula: | C17H18O2 |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O |
InChI: | InChI=1S/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3 |
InChI Key: | YZIHNHLGGMSWAD-UHFFFAOYSA-N |
Boiling Point: | 152 ℃ / 0.4 mmHg (lit.) |
Density: | 0.984 g/mL at 25 ℃(lit.) |
MDL: | MFCD00003359 |
LogP: | 4.58890 |
GHS Hazard Statement: | H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2016017036-A | Lysophosphatidylserine derivative | 20140704 |
JP-2016017037-A | Lysophosphatidylserine derivatives containing fatty acid surrogates | 20140704 |
JP-6369721-B2 | Lysophosphatidylserine derivative | 20140704 |
JP-6699011-B2 | Lysophosphatidylserine derivatives containing fatty acid surrogates | 20140704 |
US-2017210767-A1 | Lysophosphatidylserine derivative | 20140704 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.130679813 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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