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100362-96-7 | 1-Naphthalenesulfonic acid, 8-(acetylamino)-
CAS No: 100362-96-7 Catalog No: AG0001PY MDL No:
Product Description
Catalog Number:
AG0001PY
Chemical Name:
1-Naphthalenesulfonic acid, 8-(acetylamino)-
CAS Number:
100362-96-7
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
IUPAC Name:
8-acetamidonaphthalene-1-sulfonic acid
InChI:
InChI=1S/C12H11NO4S/c1-8(14)13-10-6-2-4-9-5-3-7-11(12(9)10)18(15,16)17/h2-7H,1H3,(H,13,14)(H,15,16,17)
InChI Key:
HSZZZVHTYSQLNZ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc2c1c(ccc2)S(=O)(=O)O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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