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85136-64-7 | SODIUM 4-HYDROXY-3-[(2-HYDROXY-NAPHTHALEN-1-YL)AZO]-5-METHYLBENZENESULFONATE
CAS No: 85136-64-7 Catalog No: AG004QSQ MDL No:
Product Description
Catalog Number:
AG004QSQ
Chemical Name:
SODIUM 4-HYDROXY-3-[(2-HYDROXY-NAPHTHALEN-1-YL)AZO]-5-METHYLBENZENESULFONATE
CAS Number:
85136-64-7
Molecular Formula:
C17H13N2NaO5S
Molecular Weight:
380.3503
IUPAC Name:
sodium;4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate
InChI:
InChI=1S/C17H14N2O5S.Na/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);/q;+1/p-1
InChI Key:
SZNNAHNKEBYFNP-UHFFFAOYSA-M
SMILES:
Oc1c(C)cc(cc1N=Nc1c(O)ccc2c1cccc2)S(=O)(=O)[O-].[Na+]
EC Number:
285-789-1
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.044g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.35g/mol
Monoisotopic Mass:
380.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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