3-(2-Hydroxy-2-propyl)benzonitrile - CAS 959040-57-4
Catalog: |
BB041877 |
Product Name: |
3-(2-Hydroxy-2-propyl)benzonitrile |
CAS: |
959040-57-4 |
Synonyms: |
3-(2-hydroxypropan-2-yl)benzonitrile; 3-(2-hydroxypropan-2-yl)benzonitrile |
IUPAC Name: | 3-(2-hydroxypropan-2-yl)benzonitrile |
Description: | 3-(2-Hydroxy-2-propyl)benzonitrile (CAS# 959040-57-4 ) is a useful research chemical. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | CC(C)(C1=CC=CC(=C1)C#N)O |
InChI: | InChI=1S/C10H11NO/c1-10(2,12)9-5-3-4-8(6-9)7-11/h3-6,12H,1-2H3 |
InChI Key: | MPCIWYWNQBXEGC-UHFFFAOYSA-N |
LogP: | 1.78568 |
Publication Number | Title | Priority Date |
US-2011263494-A1 | Nonsteroidal compounds useful as modulators of glucocorticoid receptor ap-1 and/or nf-kappab acitivity and use thereof | 20071101 |
US-8309730-B2 | Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappab acitivity and use thereof | 20071101 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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