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85410-05-5 | CALCIUM (1-METHYLETHYL)NAPHTHALENESULFONATE
CAS No: 85410-05-5 Catalog No: AG004K9O MDL No:
Product Description
Catalog Number:
AG004K9O
Chemical Name:
CALCIUM (1-METHYLETHYL)NAPHTHALENESULFONATE
CAS Number:
85410-05-5
Molecular Formula:
C13H14CaO3S
Molecular Weight:
290.3915
IUPAC Name:
calcium;propan-2-yl naphthalene-1-sulfonate
InChI:
InChI=1S/C13H14O3S.Ca/c1-10(2)16-17(14,15)13-9-5-7-11-6-3-4-8-12(11)13;/h3-10H,1-2H3;
InChI Key:
YGWZVWFZDCPHCD-UHFFFAOYSA-N
SMILES:
CC(OS(=O)(=O)c1cccc2c1cccc2)C.[Ca]
EC Number:
287-179-0
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.39g/mol
Monoisotopic Mass:
290.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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