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100953-16-0 | 7H-Furo[3,2-g][1]benzopyran-7-one, 5,6-dihydro-9-methoxy-
CAS No: 100953-16-0 Catalog No: AG0003B2 MDL No:
Product Description
Catalog Number:
AG0003B2
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 5,6-dihydro-9-methoxy-
CAS Number:
100953-16-0
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
9-methoxy-5,6-dihydrofuro[3,2-g]chromen-7-one
InChI:
InChI=1S/C12H10O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h4-6H,2-3H2,1H3
InChI Key:
MIRPXKKVNYHHPJ-UHFFFAOYSA-N
SMILES:
COc1c2OC(=O)CCc2cc2c1occ2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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