4,4-Dimethyl-1-(3-pyridyl)pentan-3-one - CAS 75749-00-7
Catalog: |
BB035395 |
Product Name: |
4,4-Dimethyl-1-(3-pyridyl)pentan-3-one |
CAS: |
75749-00-7 |
Synonyms: |
4,4-dimethyl-1-(3-pyridinyl)-3-pentanone; 4,4-dimethyl-1-pyridin-3-ylpentan-3-one |
IUPAC Name: | 4,4-dimethyl-1-pyridin-3-ylpentan-3-one |
Description: | 4,4-Dimethyl-1-(3-pyridyl)pentan-3-one (CAS# 75749-00-7 ) is a useful research chemical. |
Molecular Weight: | 191.27 |
Molecular Formula: | C12H17NO |
Canonical SMILES: | CC(C)(C)C(=O)CCC1=CN=CC=C1 |
InChI: | InChI=1S/C12H17NO/c1-12(2,3)11(14)7-6-10-5-4-8-13-9-10/h4-5,8-9H,6-7H2,1-3H3 |
InChI Key: | FYUWCKNIGYMKSX-UHFFFAOYSA-N |
LogP: | 2.62940 |
Publication Number | Title | Priority Date |
US-10214520-B2 | Substituted azaspiro(4.5)decane derivatives | 20140715 |
US-2017210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | 20140715 |
US-2010310455-A1 | Heterocyclic Ligands for Integrin Imaging and Therapy | 20060908 |
US-8486370-B2 | Heterocyclic ligands for integrin imaging and therapy | 20060908 |
US-2006019900-A1 | Alpha-4 beta-1 integrin ligands for imaging and therapy | 20040527 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.131014166 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 30 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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