3-(4-Hydroxyphenyl)benzonitrile - CAS 154848-44-9
Catalog: |
BB011062 |
Product Name: |
3-(4-Hydroxyphenyl)benzonitrile |
CAS: |
154848-44-9 |
Synonyms: |
3-(4-hydroxyphenyl)benzonitrile |
IUPAC Name: | 3-(4-hydroxyphenyl)benzonitrile |
Description: | 3-(4-Hydroxyphenyl)benzonitrile (CAS# 154848-44-9) is a useful research chemical. |
Molecular Weight: | 195.22 |
Molecular Formula: | C13H9NO |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC=C(C=C2)O)C#N |
InChI: | InChI=1S/C13H9NO/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8,15H |
InChI Key: | DTNKYIRPORWHHR-UHFFFAOYSA-N |
Boiling Point: | 373.4 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
LogP: | 2.93088 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P322, P330, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112028773-A | Diester compound of PPAR protein activator | 20190604 |
WO-2019165159-A1 | Compounds and methods for treating oxalate-related diseases | 20180223 |
US-2020390778-A1 | Compounds and methods for treating oxalate-related diseases | 20180223 |
EP-3455328-A1 | Bimesogenic compounds and mesogenic media | 20160512 |
EP-3455328-B1 | Bimesogenic compounds and mesogenic media | 20160512 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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