200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 185679-03-2
185679-03-2 | Benz[g]isoquinoline-5,10-dione, 6,7,9-tris(acetyloxy)-3-methyl-
CAS No: 185679-03-2 Catalog No: AG007SY5 MDL No:
Product Description
Catalog Number:
AG007SY5
Chemical Name:
Benz[g]isoquinoline-5,10-dione, 6,7,9-tris(acetyloxy)-3-methyl-
CAS Number:
185679-03-2
Molecular Formula:
C20H15NO8
Molecular Weight:
397.3350
IUPAC Name:
(6,7-diacetyloxy-3-methyl-5,10-dioxobenzo[g]isoquinolin-9-yl) acetate
InChI:
InChI=1S/C20H15NO8/c1-8-5-12-13(7-21-8)19(26)16-14(27-9(2)22)6-15(28-10(3)23)20(29-11(4)24)17(16)18(12)25/h5-7H,1-4H3
InChI Key:
BNFJXSWQACTESG-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(OC(=O)C)c2c(c1OC(=O)C)C(=O)c1c(C2=O)cnc(c1)C
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.08g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.339g/mol
Monoisotopic Mass:
397.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
© 2019 Angene International Limited. All rights Reserved.