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68239-60-1

68239-60-1 | 2-methyl-7-oxo-7H-dibenz[f,ij]isoquinoline-4-sulphonic acid

CAS No: 68239-60-1 Catalog No: AG00FZRF MDL No:

Product Description

Catalog Number:
AG00FZRF
Chemical Name:
2-methyl-7-oxo-7H-dibenz[f,ij]isoquinoline-4-sulphonic acid
CAS Number:
68239-60-1
IUPAC Name:
15-methyl-8-oxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-12-sulfonic acid
InChI:
InChI=1S/C17H11NO4S/c1-9-8-13-10-4-2-3-5-11(10)17(19)12-6-7-14(23(20,21)22)16(18-9)15(12)13/h2-8H,1H3,(H,20,21,22)
InChI Key:
YWVBEIADCVGBHU-UHFFFAOYSA-N
EC Number:
269-453-1

Properties

Complexity:
598  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.041g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.338g/mol
Monoisotopic Mass:
325.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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