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76947-48-3 | 1,3-Benzenedisulfonic acid, 4-hydroxy-5-(1-methylpropyl)-
CAS No: 76947-48-3 Catalog No: AG0057PQ MDL No:
Product Description
Catalog Number:
AG0057PQ
Chemical Name:
1,3-Benzenedisulfonic acid, 4-hydroxy-5-(1-methylpropyl)-
CAS Number:
76947-48-3
Molecular Formula:
C10H14O7S2
Molecular Weight:
310.3440
IUPAC Name:
5-butan-2-yl-4-hydroxybenzene-1,3-disulfonic acid
InChI:
InChI=1S/C10H14O7S2/c1-3-6(2)8-4-7(18(12,13)14)5-9(10(8)11)19(15,16)17/h4-6,11H,3H2,1-2H3,(H,12,13,14)(H,15,16,17)
InChI Key:
LRFJIDXZHOSFQO-UHFFFAOYSA-N
SMILES:
CCC(c1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.335g/mol
Monoisotopic Mass:
310.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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