1-benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid - CAS 4332-79-0
Catalog: |
BB025385 |
Product Name: |
1-benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid |
CAS: |
4332-79-0 |
Synonyms: |
6-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid; 1-benzyl-6-oxopyridine-3-carboxylic acid |
IUPAC Name: | 1-benzyl-6-oxopyridine-3-carboxylic acid |
Description: | 1-benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid (CAS# 4332-79-0) is a useful research chemical. |
Molecular Weight: | 229.23 |
Molecular Formula: | C13H11NO3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=C(C=CC2=O)C(=O)O |
InChI: | InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17) |
InChI Key: | LDTBMEOGSQFGDK-UHFFFAOYSA-N |
Boiling Point: | 443.3 °C at 760 mmHg |
Density: | 1.355 g/cm3 |
MDL: | MFCD00101801 |
LogP: | 1.59480 |
Publication Number | Title | Priority Date |
US-10568913-B2 | Method for generating mature β-like cells | 20130328 |
US-2016045554-A1 | Method for generating mature beta-like cells | 20130328 |
WO-2014153620-A1 | METHOD FOR GENERATING MATURE β-LIKE CELLS | 20130328 |
EP-2731932-A1 | Aminomethyl quinolone compounds | 20110712 |
EP-2731932-B1 | Aminomethyl quinolone compounds | 20110712 |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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