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119718-03-5 | Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,9a-tetrahydro-4-methoxy-, (6aS-cis)- (9CI)
CAS No: 119718-03-5 Catalog No: AG000PI5 MDL No:
Product Description
Catalog Number:
AG000PI5
Chemical Name:
Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 8,9-dichloro-2,3,6a,9a-tetrahydro-4-methoxy-, (6aS-cis)- (9CI)
CAS Number:
119718-03-5
Molecular Formula:
C17H10Cl2O6
Molecular Weight:
381.1637
IUPAC Name:
(3S,7S)-4,5-dichloro-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
InChI:
InChI=1S/C17H10Cl2O6/c1-22-7-4-8-11(12-13(18)15(19)25-17(12)23-8)14-10(7)5-2-3-6(20)9(5)16(21)24-14/h4,12,17H,2-3H2,1H3/t12-,17+/m1/s1
InChI Key:
TWAYMZIMOFMBAE-PXAZEXFGSA-N
SMILES:
COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C(=C(O3)Cl)Cl
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
379.985g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.161g/mol
Monoisotopic Mass:
379.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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