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49619-58-1 | 6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde
CAS No: 49619-58-1 Catalog No: AG003N91 MDL No:MFCD00192183
Product Description
Catalog Number:
AG003N91
Chemical Name:
6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde
CAS Number:
49619-58-1
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD00192183
IUPAC Name:
4-oxo-6-propan-2-ylchromene-3-carbaldehyde
InChI:
InChI=1S/C13H12O3/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-8H,1-2H3
InChI Key:
FRRYMYQANNFABF-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)cc(cc2)C(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Biological activity of 3-formylchromones and related compounds. | In vivo (Athens, Greece) 20070101 |
| Formylchromone derivatives as a novel class of protein tyrosine phosphatase 1B inhibitors. | Bioorganic & medicinal chemistry letters 20030804 |
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