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85684-22-6 | 2-Propanol,1-methoxy-, 2-(hydrogen sulfate)
CAS No: 85684-22-6 Catalog No: AG0050HZ MDL No:
Product Description
Catalog Number:
AG0050HZ
Chemical Name:
2-Propanol,1-methoxy-, 2-(hydrogen sulfate)
CAS Number:
85684-22-6
Molecular Formula:
C4H10O5S
Molecular Weight:
170.1842
IUPAC Name:
1-methoxypropan-2-yl hydrogen sulfate
InChI:
InChI=1S/C4H10O5S/c1-4(3-8-2)9-10(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)
InChI Key:
OTJBFMWZNNEQEW-UHFFFAOYSA-N
SMILES:
COCC(OS(=O)(=O)O)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.179g/mol
Monoisotopic Mass:
170.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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