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918621-11-1 | 1H-Phenalene-1,3(2H)-dione, 2-(3-oxo-3H-indol-2-yl)-
CAS No: 918621-11-1 Catalog No: AG006CVX MDL No:
Product Description
Catalog Number:
AG006CVX
Chemical Name:
1H-Phenalene-1,3(2H)-dione, 2-(3-oxo-3H-indol-2-yl)-
CAS Number:
918621-11-1
Molecular Formula:
C21H11NO3
Molecular Weight:
325.3169
IUPAC Name:
2-(3-oxoindol-2-yl)phenalene-1,3-dione
InChI:
InChI=1S/C21H11NO3/c23-19-13-8-3-5-11-6-4-9-14(16(11)13)20(24)17(19)18-21(25)12-7-1-2-10-15(12)22-18/h1-10,17H
InChI Key:
OYDOZMRDLJLJBF-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2N=C1C1C(=O)c2cccc3c2c(C1=O)ccc3
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.074g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.323g/mol
Monoisotopic Mass:
325.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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