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89625-33-2 | 2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 8,9-dimethoxy-2,2-dimethyl-
CAS No: 89625-33-2 Catalog No: AG003WPQ MDL No:
Product Description
Catalog Number:
AG003WPQ
Chemical Name:
2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 8,9-dimethoxy-2,2-dimethyl-
CAS Number:
89625-33-2
Molecular Formula:
C16H16O5
Molecular Weight:
288.2952
IUPAC Name:
8,9-dimethoxy-2,2-dimethylpyrano[3,2-c]chromen-5-one
InChI:
InChI=1S/C16H16O5/c1-16(2)6-5-9-14(21-16)10-7-12(18-3)13(19-4)8-11(10)20-15(9)17/h5-8H,1-4H3
InChI Key:
CWPWDQAKTTWFIW-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)oc(=O)c1c2OC(C)(C)C=C1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.299g/mol
Monoisotopic Mass:
288.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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