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Home > Imidazoles > 80929-63-1
80929-63-1 | 4H-1-Benzopyran-4-one, 2,3-dihydro-3-(1H-imidazol-1-yl)-6-methoxy-
CAS No: 80929-63-1 Catalog No: AG005HVG MDL No:
Product Description
Catalog Number:
AG005HVG
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-3-(1H-imidazol-1-yl)-6-methoxy-
CAS Number:
80929-63-1
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
3-imidazol-1-yl-6-methoxy-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C13H12N2O3/c1-17-9-2-3-12-10(6-9)13(16)11(7-18-12)15-5-4-14-8-15/h2-6,8,11H,7H2,1H3
InChI Key:
OYHQUWIMCMXLHH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)C(CO2)n1cncc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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