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125124-67-6 | [3,7'-Bi-2H-1-benzopyran]-2,2'-dione, 4,5',8'-trihydroxy-5-methyl-
CAS No: 125124-67-6 Catalog No: AG000N8X MDL No:
Product Description
Catalog Number:
AG000N8X
Chemical Name:
[3,7'-Bi-2H-1-benzopyran]-2,2'-dione, 4,5',8'-trihydroxy-5-methyl-
CAS Number:
125124-67-6
Molecular Formula:
C19H12O7
Molecular Weight:
352.2944
IUPAC Name:
3-(5,8-dihydroxy-2-oxochromen-7-yl)-4-hydroxy-5-methylchromen-2-one
InChI:
InChI=1S/C19H12O7/c1-8-3-2-4-12-14(8)17(23)15(19(24)25-12)10-7-11(20)9-5-6-13(21)26-18(9)16(10)22/h2-7,20,22-23H,1H3
InChI Key:
HYSXPHSQRZJJCF-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)c(O)c(cc2O)c1c(=O)oc2c(c1O)c(C)ccc2
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.058g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.298g/mol
Monoisotopic Mass:
352.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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