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13304-66-0 | 1-Propanesulfonic acid, 2,2-dimethyl-, ethyl ester
CAS No: 13304-66-0 Catalog No: AG0011JY MDL No:
Product Description
Catalog Number:
AG0011JY
Chemical Name:
1-Propanesulfonic acid, 2,2-dimethyl-, ethyl ester
CAS Number:
13304-66-0
Molecular Formula:
C7H16O3S
Molecular Weight:
180.2651
IUPAC Name:
ethyl 2,2-dimethylpropane-1-sulfonate
InChI:
InChI=1S/C7H16O3S/c1-5-10-11(8,9)6-7(2,3)4/h5-6H2,1-4H3
InChI Key:
QACOAEFYKTWQIE-UHFFFAOYSA-N
SMILES:
CCOS(=O)(=O)CC(C)(C)C
NSC Number:
23364
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.262g/mol
Monoisotopic Mass:
180.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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