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10091-02-8 | 5H-Furo[3,2-g][1]benzopyran-5-one, 6,7-dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-
CAS No: 10091-02-8 Catalog No: AG00036E MDL No:
Product Description
Catalog Number:
AG00036E
Chemical Name:
5H-Furo[3,2-g][1]benzopyran-5-one, 6,7-dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-
CAS Number:
10091-02-8
Molecular Formula:
C19H14O6
Molecular Weight:
338.3109
IUPAC Name:
6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-one
InChI:
InChI=1S/C19H14O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-7,13H,8-9H2,1H3
InChI Key:
JZNIBAUSQWDFGE-UHFFFAOYSA-N
SMILES:
COc1cc2OCOc2cc1C1COc2c(C1=O)cc1c(c2)occ1
UNII:
D08G5O2Y2W
NSC Number:
361413
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.315g/mol
Monoisotopic Mass:
338.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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