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68189-31-1 | 5-(m-Aminobenzoylamino)-4-hydroxy-2,7-naphthalenedisulfonic acid
CAS No: 68189-31-1 Catalog No: AG005YLP MDL No:
Product Description
Catalog Number:
AG005YLP
Chemical Name:
5-(m-Aminobenzoylamino)-4-hydroxy-2,7-naphthalenedisulfonic acid
CAS Number:
68189-31-1
Molecular Formula:
C17H14N2O8S2
Molecular Weight:
438.4317
IUPAC Name:
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C17H14N2O8S2/c18-11-3-1-2-9(4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)
InChI Key:
MLHWJIBYLDMVLQ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=O)Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O
EC Number:
269-188-1
Properties
Complexity:
819
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.019g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
438.425g/mol
Monoisotopic Mass:
438.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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