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16794-12-0 | 2-Butanesulfonic acid
CAS No: 16794-12-0 Catalog No: AG001XQ0 MDL No:MFCD00066381
Product Description
Catalog Number:
AG001XQ0
Chemical Name:
2-Butanesulfonic acid
CAS Number:
16794-12-0
Molecular Formula:
C4H10O3S
Molecular Weight:
138.1854
MDL Number:
MFCD00066381
IUPAC Name:
butane-2-sulfonic acid
InChI:
InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)
InChI Key:
BRXCDHOLJPJLLT-UHFFFAOYSA-N
SMILES:
CCC(S(=O)(=O)O)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.035g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.181g/mol
Monoisotopic Mass:
138.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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