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782403-86-5 | 5,8-Quinolinedisulfonicacid, 2-methyl-
CAS No: 782403-86-5 Catalog No: AG005NIJ MDL No:
Product Description
Catalog Number:
AG005NIJ
Chemical Name:
5,8-Quinolinedisulfonicacid, 2-methyl-
CAS Number:
782403-86-5
Molecular Formula:
C10H9NO6S2
Molecular Weight:
303.3116
IUPAC Name:
2-methylquinoline-5,8-disulfonic acid
InChI:
InChI=1S/C10H9NO6S2/c1-6-2-3-7-8(18(12,13)14)4-5-9(10(7)11-6)19(15,16)17/h2-5H,1H3,(H,12,13,14)(H,15,16,17)
InChI Key:
BWZGKHHEYGPMMI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(ccc2S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.987g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.303g/mol
Monoisotopic Mass:
302.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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