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113816-80-1 | 2H-Benzofuro[3,2-g]-1-benzopyran-2-one, 5-methoxy-4-methyl-
CAS No: 113816-80-1 Catalog No: AG0009S8 MDL No:
Product Description
Catalog Number:
AG0009S8
Chemical Name:
2H-Benzofuro[3,2-g]-1-benzopyran-2-one, 5-methoxy-4-methyl-
CAS Number:
113816-80-1
Molecular Formula:
C17H12O4
Molecular Weight:
280.2748
IUPAC Name:
5-methoxy-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
InChI:
InChI=1S/C17H12O4/c1-9-7-14(18)21-12-8-13-16(17(19-2)15(9)12)10-5-3-4-6-11(10)20-13/h3-8H,1-2H3
InChI Key:
XLEBCUFEFHNUBA-UHFFFAOYSA-N
SMILES:
COc1c2c(C)cc(=O)oc2cc2c1c1ccccc1o2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.279g/mol
Monoisotopic Mass:
280.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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