4-(3-Hydroxyphenyl)benzonitrile - CAS 486455-27-0
Catalog: |
BB026574 |
Product Name: |
4-(3-Hydroxyphenyl)benzonitrile |
CAS: |
486455-27-0 |
Synonyms: |
4-(3-hydroxyphenyl)benzonitrile |
IUPAC Name: | 4-(3-hydroxyphenyl)benzonitrile |
Description: | 4-(3-Hydroxyphenyl)benzonitrile (CAS# 486455-27-0 ) is a useful research chemical. |
Molecular Weight: | 195.22 |
Molecular Formula: | C13H9NO |
Canonical SMILES: | C1=CC(=CC(=C1)O)C2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C13H9NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8,15H |
InChI Key: | LYCMNMIPSJWQRL-UHFFFAOYSA-N |
Boiling Point: | 408 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
LogP: | 2.93088 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
AU-2016280058-A1 | Thromboxane receptor antagonists | 20150616 |
CA-2989271-A1 | Thromboxane receptor antagonists | 20150616 |
EP-3310756-A1 | Thromboxane receptor antagonists | 20150616 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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