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114040-38-9 | 1,7-Naphthalenedisulfonic acid, 3-hydroxy-
CAS No: 114040-38-9 Catalog No: AG000ADJ MDL No:
Product Description
Catalog Number:
AG000ADJ
Chemical Name:
1,7-Naphthalenedisulfonic acid, 3-hydroxy-
CAS Number:
114040-38-9
Molecular Formula:
C10H8O7S2
Molecular Weight:
304.2963
IUPAC Name:
3-hydroxynaphthalene-1,7-disulfonic acid
InChI:
InChI=1S/C10H8O7S2/c11-7-3-6-1-2-8(18(12,13)14)5-9(6)10(4-7)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)
InChI Key:
JGNJDXHWSLCXIP-UHFFFAOYSA-N
SMILES:
Oc1cc2ccc(cc2c(c1)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.971g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.287g/mol
Monoisotopic Mass:
303.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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