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83-22-7 | 2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]-
CAS No: 83-22-7 Catalog No: AG004YYZ MDL No:
Product Description
Catalog Number:
AG004YYZ
Chemical Name:
2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]-
CAS Number:
83-22-7
Molecular Formula:
C16H13NO9S3
Molecular Weight:
459.4707
IUPAC Name:
4-(benzenesulfonamido)-5-hydroxynaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C16H13NO9S3/c18-15-9-13(29(24,25)26)7-10-6-12(28(21,22)23)8-14(16(10)15)17-27(19,20)11-4-2-1-3-5-11/h1-9,17-18H,(H,21,22,23)(H,24,25,26)
InChI Key:
RXLQXRJNFSMYDL-UHFFFAOYSA-N
SMILES:
Oc1cc(cc2c1c(cc(c2)S(=O)(=O)O)NS(=O)(=O)c1ccccc1)S(=O)(=O)O
EC Number:
201-459-1
Properties
Complexity:
893
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.975g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
459.458g/mol
Monoisotopic Mass:
458.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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