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85518-13-4 | 5H-Furo[3,2-g][1]benzopyran-5-one, 6-acetyl-4,9-dimethoxy-7-methyl-
CAS No: 85518-13-4 Catalog No: AG004RB1 MDL No:
Product Description
Catalog Number:
AG004RB1
Chemical Name:
5H-Furo[3,2-g][1]benzopyran-5-one, 6-acetyl-4,9-dimethoxy-7-methyl-
CAS Number:
85518-13-4
Molecular Formula:
C16H14O6
Molecular Weight:
302.2788
IUPAC Name:
6-acetyl-4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
InChI:
InChI=1S/C16H14O6/c1-7(17)10-8(2)22-15-11(12(10)18)13(19-3)9-5-6-21-14(9)16(15)20-4/h5-6H,1-4H3
InChI Key:
WJBFLBXFMIUMQW-UHFFFAOYSA-N
SMILES:
COc1c2c(=O)c(C(=O)C)c(oc2c(c2c1cco2)OC)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.282g/mol
Monoisotopic Mass:
302.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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