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10185-00-9 | 2H-1-Benzopyran-3-carboxamide
CAS No: 10185-00-9 Catalog No: AG0005PY MDL No:
Product Description
Catalog Number:
AG0005PY
Chemical Name:
2H-1-Benzopyran-3-carboxamide
CAS Number:
10185-00-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
2H-chromene-3-carboxamide
InChI:
InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)
InChI Key:
UVEVMKODWDQIAN-UHFFFAOYSA-N
SMILES:
NC(=O)C1=Cc2c(OC1)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| New chromene scaffolds for adenosine A(2A) receptors: synthesis, pharmacology and structure-activity relationships. | European journal of medicinal chemistry 20120801 |
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