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85409-85-4 | ISOPROPYLAMMONIUM OCTYL SULFATE
CAS No: 85409-85-4 Catalog No: AG004K9R MDL No:
Product Description
Catalog Number:
AG004K9R
Chemical Name:
ISOPROPYLAMMONIUM OCTYL SULFATE
CAS Number:
85409-85-4
Molecular Formula:
C11H27NO4S
Molecular Weight:
269.4014
IUPAC Name:
octyl sulfate;propan-2-ylazanium
InChI:
InChI=1S/C8H18O4S.C3H9N/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3(2)4/h2-8H2,1H3,(H,9,10,11);3H,4H2,1-2H3
InChI Key:
KRNUWJNZKLTDFC-UHFFFAOYSA-N
SMILES:
CC([NH3+])C.CCCCCCCCOS(=O)(=O)[O-]
EC Number:
287-157-0
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.166g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.4g/mol
Monoisotopic Mass:
269.166g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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