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Home > Other Heterocycles > 115598-75-9
115598-75-9 | Spiro[6H-1,3-dioxolo[4,5-h][3]benzazepine-6,6'(7'H)-furo[2,3-e][1,3]benzodioxole]-5,7'(7H)-dione, 7-methyl-, (+)-
CAS No: 115598-75-9 Catalog No: AG000G7S MDL No:
Product Description
Catalog Number:
AG000G7S
Chemical Name:
Spiro[6H-1,3-dioxolo[4,5-h][3]benzazepine-6,6'(7'H)-furo[2,3-e][1,3]benzodioxole]-5,7'(7H)-dione, 7-methyl-, (+)-
CAS Number:
115598-75-9
Molecular Formula:
C20H13NO7
Molecular Weight:
379.3197
IUPAC Name:
7-methylspiro[[1,3]dioxolo[4,5-h][3]benzazepine-6,6'-furo[3,2-g][1,3]benzodioxole]-5,7'-dione
InChI:
InChI=1S/C20H13NO7/c1-21-5-4-10-6-14-15(26-8-25-14)7-11(10)18(22)20(21)12-2-3-13-17(27-9-24-13)16(12)28-19(20)23/h2-7H,8-9H2,1H3
InChI Key:
ODZKWJNWPLUOKP-UHFFFAOYSA-N
SMILES:
CN1C=Cc2c(C(=O)C31C(=O)Oc1c3ccc3c1OCO3)cc1c(c2)OCO1
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.069g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.324g/mol
Monoisotopic Mass:
379.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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