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67832-79-5 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(1H-imidazol-4-yl)-6-methyl-
CAS No: 67832-79-5 Catalog No: AG00632K MDL No:
Product Description
Catalog Number:
AG00632K
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-3-(1H-imidazol-4-yl)-6-methyl-
CAS Number:
67832-79-5
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
IUPAC Name:
7-hydroxy-3-(1H-imidazol-5-yl)-6-methylchromen-4-one
InChI:
InChI=1S/C13H10N2O3/c1-7-2-8-12(3-11(7)16)18-5-9(13(8)17)10-4-14-6-15-10/h2-6,16H,1H3,(H,14,15)
InChI Key:
DDGHTYMNCVOYRD-UHFFFAOYSA-N
SMILES:
Oc1cc2occ(c(=O)c2cc1C)c1c[nH]cn1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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