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75732-48-8 | 2-(2,2-dioxido-1,2-oxathiolan-3-yl)propan-2-ol
CAS No: 75732-48-8 Catalog No: AG005IQQ MDL No:
Product Description
Catalog Number:
AG005IQQ
Chemical Name:
2-(2,2-dioxido-1,2-oxathiolan-3-yl)propan-2-ol
CAS Number:
75732-48-8
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
IUPAC Name:
2-(2,2-dioxooxathiolan-3-yl)propan-2-ol
InChI:
InChI=1S/C6H12O4S/c1-6(2,7)5-3-4-10-11(5,8)9/h5,7H,3-4H2,1-2H3
InChI Key:
FYYMTXSJMJTFSM-UHFFFAOYSA-N
SMILES:
CC(C1CCOS1(=O)=O)(O)C
NSC Number:
139012
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.218g/mol
Monoisotopic Mass:
180.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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