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89782-01-4 | 2H-1-Benzopyran-5,7-diol, 2-(4-hydroxyphenyl)-3-(1H-imidazol-1-yl)-
CAS No: 89782-01-4 Catalog No: AG004092 MDL No:
Product Description
Catalog Number:
AG004092
Chemical Name:
2H-1-Benzopyran-5,7-diol, 2-(4-hydroxyphenyl)-3-(1H-imidazol-1-yl)-
CAS Number:
89782-01-4
Molecular Formula:
C18H14N2O4
Molecular Weight:
322.3148
IUPAC Name:
2-(4-hydroxyphenyl)-3-imidazol-1-yl-2H-chromene-5,7-diol
InChI:
InChI=1S/C18H14N2O4/c21-12-3-1-11(2-4-12)18-15(20-6-5-19-10-20)9-14-16(23)7-13(22)8-17(14)24-18/h1-10,18,21-23H
InChI Key:
GPBNLQHCVZKIOE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1Oc2cc(O)cc(c2C=C1n1ccnc1)O
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.32g/mol
Monoisotopic Mass:
322.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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