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774143-07-6 | 3,6,8-Quinolinetrisulfonicacid
CAS No: 774143-07-6 Catalog No: AG005MKZ MDL No:
Product Description
Catalog Number:
AG005MKZ
Chemical Name:
3,6,8-Quinolinetrisulfonicacid
CAS Number:
774143-07-6
Molecular Formula:
C9H7NO9S3
Molecular Weight:
369.3482
IUPAC Name:
quinoline-3,6,8-trisulfonic acid
InChI:
InChI=1S/C9H7NO9S3/c11-20(12,13)6-1-5-2-7(21(14,15)16)4-10-9(5)8(3-6)22(17,18)19/h1-4H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
InChI Key:
NXKMVHIOXXFRPC-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cnc2c(c1)cc(cc2S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.928g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
369.333g/mol
Monoisotopic Mass:
368.928g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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