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129-90-8 | 1-Naphthalenesulfonic acid, 8-[(4-methylphenyl)amino]-
CAS No: 129-90-8 Catalog No: AG000YR6 MDL No:
Product Description
Catalog Number:
AG000YR6
Chemical Name:
1-Naphthalenesulfonic acid, 8-[(4-methylphenyl)amino]-
CAS Number:
129-90-8
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
IUPAC Name:
8-(4-methylanilino)naphthalene-1-sulfonic acid
InChI:
InChI=1S/C17H15NO3S/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)22(19,20)21/h2-11,18H,1H3,(H,19,20,21)
InChI Key:
FDXOYIGOUGEQBC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Nc1cccc2c1c(ccc2)S(=O)(=O)O
EC Number:
204-968-7
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.371g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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