6-Methylisoquinolin-1(2H)-one - CAS 131002-10-3
Catalog: |
BB007222 |
Product Name: |
6-Methylisoquinolin-1(2H)-one |
CAS: |
131002-10-3 |
Synonyms: |
6-methyl-2H-isoquinolin-1-one; 6-methyl-2H-isoquinolin-1-one |
IUPAC Name: | 6-methyl-2H-isoquinolin-1-one |
Description: | 6-Methylisoquinolin-1(2H)-one (CAS# 131002-10-3) is a useful reagent in the preparation of substituted isoquinolones. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=O)NC=C2 |
InChI: | InChI=1S/C10H9NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-6H,1H3,(H,11,12) |
InChI Key: | AVBPTIYKXNVKNJ-UHFFFAOYSA-N |
Boiling Point: | 393.92 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD11559024 |
LogP: | 2.24880 |
Publication Number | Title | Priority Date |
US-2014179675-A1 | Quinolone compound | 20110831 |
US-2015005287-A2 | Quinolone compound | 20110831 |
US-2015239865-A1 | Quinolone compound | 20110831 |
US-9067887-B2 | Quinolone compound | 20110831 |
WO-2013029548-A1 | Quinolone compound | 20110831 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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