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85099-23-6 | 2-Pentanol, 4-methyl-,2-(hydrogen sulfate), sodium salt (1:1)
CAS No: 85099-23-6 Catalog No: AG004XK5 MDL No:
Product Description
Catalog Number:
AG004XK5
Chemical Name:
2-Pentanol, 4-methyl-,2-(hydrogen sulfate), sodium salt (1:1)
CAS Number:
85099-23-6
Molecular Formula:
C6H13NaO4S
Molecular Weight:
204.2198
IUPAC Name:
sodium;4-methylpentan-2-yl sulfate
InChI:
InChI=1S/C6H14O4S.Na/c1-5(2)4-6(3)10-11(7,8)9;/h5-6H,4H2,1-3H3,(H,7,8,9);/q;+1/p-1
InChI Key:
GVPLMTMISXCYPD-UHFFFAOYSA-M
SMILES:
CC(OS(=O)(=O)[O-])CC(C)C.[Na+]
EC Number:
285-478-0
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.216g/mol
Monoisotopic Mass:
204.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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