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830928-26-2 | Benz[b]acridine-6,11-dione, 12-(1-oxopropyl)-
CAS No: 830928-26-2 Catalog No: AG004WRX MDL No:
Product Description
Catalog Number:
AG004WRX
Chemical Name:
Benz[b]acridine-6,11-dione, 12-(1-oxopropyl)-
CAS Number:
830928-26-2
Molecular Formula:
C20H13NO3
Molecular Weight:
315.3221
IUPAC Name:
12-propanoylbenzo[b]acridine-6,11-dione
InChI:
InChI=1S/C20H13NO3/c1-2-15(22)16-13-9-5-6-10-14(13)21-18-17(16)19(23)11-7-3-4-8-12(11)20(18)24/h3-10H,2H2,1H3
InChI Key:
KOUZSDZTWZNXFQ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c2C(=O)c3ccccc3C(=O)c2nc2c1cccc2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.328g/mol
Monoisotopic Mass:
315.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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