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85136-63-6 | Benzenesulfonic acid,4-hydroxy-3-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-
CAS No: 85136-63-6 Catalog No: AG004N71 MDL No:
Product Description
Catalog Number:
AG004N71
Chemical Name:
Benzenesulfonic acid,4-hydroxy-3-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-
CAS Number:
85136-63-6
Molecular Formula:
C17H14N2O5S
Molecular Weight:
358.3685
IUPAC Name:
4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonic acid
InChI:
InChI=1S/C17H14N2O5S/c1-10-8-12(25(22,23)24)9-14(17(10)21)18-19-16-13-5-3-2-4-11(13)6-7-15(16)20/h2-9,20-21H,1H3,(H,22,23,24)
InChI Key:
PVPPOERSQVBQMT-UHFFFAOYSA-N
SMILES:
Oc1c(C)cc(cc1N=Nc1c(O)ccc2c1cccc2)S(=O)(=O)O
EC Number:
285-788-6
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.062g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
358.368g/mol
Monoisotopic Mass:
358.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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