3-(1-Hydroxyethyl)benzonitrile - CAS 115098-69-6
Catalog: |
BB003492 |
Product Name: |
3-(1-Hydroxyethyl)benzonitrile |
CAS: |
115098-69-6 |
Synonyms: |
3-(1-hydroxyethyl)benzonitrile; 3-(1-hydroxyethyl)benzonitrile |
IUPAC Name: | 3-(1-hydroxyethyl)benzonitrile |
Description: | 3-(1-Hydroxyethyl)benzonitrile (CAS# 115098-69-6) is a useful research chemical. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | CC(C1=CC=CC(=C1)C#N)O |
InChI: | InChI=1S/C9H9NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,7,11H,1H3 |
InChI Key: | ZGFGALOARUPOBS-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.61158 |
Publication Number | Title | Priority Date |
US-2021094951-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190906 |
WO-2021046515-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20190906 |
WO-2019175897-A1 | Bicyclic compounds as inhibitors of pd1/pd-l1 interaction/activation | 20180313 |
AU-2019234185-A1 | Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation | 20180313 |
CN-112105610-A | Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation | 20180313 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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