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30644-37-2 | Naphthalenesulfonic acid, aminohydroxy- (9CI)
CAS No: 30644-37-2 Catalog No: AG0030QU MDL No:
Product Description
Catalog Number:
AG0030QU
Chemical Name:
Naphthalenesulfonic acid, aminohydroxy- (9CI)
CAS Number:
30644-37-2
Molecular Formula:
C10H9NO4S
Molecular Weight:
239.2478
IUPAC Name:
3-amino-2-hydroxynaphthalene-1-sulfonic acid
InChI:
InChI=1S/C10H9NO4S/c11-8-5-6-3-1-2-4-7(6)10(9(8)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChI Key:
CLBQHDAKOPHNQI-UHFFFAOYSA-N
SMILES:
Nc1cc2ccccc2c(c1O)S(=O)(=O)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.245g/mol
Monoisotopic Mass:
239.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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