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84100-02-7 | Benzoic acid,2-hydroxy-3-methyl-5-[2-(6-sulfo-2-naphthalenyl)diazenyl]-
CAS No: 84100-02-7 Catalog No: AG0050BD MDL No:
Product Description
Catalog Number:
AG0050BD
Chemical Name:
Benzoic acid,2-hydroxy-3-methyl-5-[2-(6-sulfo-2-naphthalenyl)diazenyl]-
CAS Number:
84100-02-7
Molecular Formula:
C18H14N2O6S
Molecular Weight:
386.3786
IUPAC Name:
2-hydroxy-3-methyl-5-[(6-sulfonaphthalen-2-yl)diazenyl]benzoic acid
InChI:
InChI=1S/C18H14N2O6S/c1-10-6-14(9-16(17(10)21)18(22)23)20-19-13-4-2-12-8-15(27(24,25)26)5-3-11(12)7-13/h2-9,21H,1H3,(H,22,23)(H,24,25,26)
InChI Key:
TXCLQELZMLNMFZ-UHFFFAOYSA-N
SMILES:
Cc1cc(N=Nc2ccc3c(c2)ccc(c3)S(=O)(=O)O)cc(c1O)C(=O)O
EC Number:
282-083-5
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.057g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
386.378g/mol
Monoisotopic Mass:
386.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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