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Home > Imidazoles > 80930-45-6
80930-45-6 | 4H-1-Benzopyran-4-one, 2,3-dihydro-3-(1H-imidazol-1-yl)-
CAS No: 80930-45-6 Catalog No: AG008LHM MDL No:
Product Description
Catalog Number:
AG008LHM
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-3-(1H-imidazol-1-yl)-
CAS Number:
80930-45-6
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
3-imidazol-1-yl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C12H10N2O2/c15-12-9-3-1-2-4-11(9)16-7-10(12)14-6-5-13-8-14/h1-6,8,10H,7H2
InChI Key:
ITQOJKKYPXNVMP-UHFFFAOYSA-N
SMILES:
O=C1C(COc2c1cccc2)n1cncc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Azolylchromans as a novel scaffold for anticonvulsant activity. | Bioorganic & medicinal chemistry letters 20060401 |
| Stereoselective synthesis and in vitro antifungal evaluation of (E)- and (Z)-imidazolylchromanone oxime ethers. | Archiv der Pharmazie 20020701 |
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