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830928-33-1 | Benz[b]acridine-6,11-dione, 12-(2-methyl-1-oxopropyl)-
CAS No: 830928-33-1 Catalog No: AG005BC3 MDL No:
Product Description
Catalog Number:
AG005BC3
Chemical Name:
Benz[b]acridine-6,11-dione, 12-(2-methyl-1-oxopropyl)-
CAS Number:
830928-33-1
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
IUPAC Name:
12-(2-methylpropanoyl)benzo[b]acridine-6,11-dione
InChI:
InChI=1S/C21H15NO3/c1-11(2)19(23)16-14-9-5-6-10-15(14)22-18-17(16)20(24)12-7-3-4-8-13(12)21(18)25/h3-11H,1-2H3
InChI Key:
BMTZMWINASQUBX-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1c2C(=O)c3ccccc3C(=O)c2nc2c1cccc2)C
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.355g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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