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89019-85-2 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxyphenyl)-
CAS No: 89019-85-2 Catalog No: AG00436G MDL No:
Product Description
Catalog Number:
AG00436G
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-3-(3-hydroxyphenyl)-
CAS Number:
89019-85-2
Molecular Formula:
C15H10O4
Molecular Weight:
254.2375
IUPAC Name:
7-hydroxy-3-(3-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)13-8-19-14-7-11(17)4-5-12(14)15(13)18/h1-8,16-17H
InChI Key:
RDYQZFNYNCDTFW-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1coc2c(c1=O)ccc(c2)O
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.241g/mol
Monoisotopic Mass:
254.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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