Home Sulfos 2-(butane-1-sulfonyl)acetic acid

2-(butane-1-sulfonyl)acetic acid

CAS No.:
91326-22-6
Catalog Number:
AG01EK5C
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
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Product Description
Catalog Number:
AG01EK5C
Chemical Name:
2-(butane-1-sulfonyl)acetic acid
CAS Number:
91326-22-6
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
MDL Number:
MFCD06619416
IUPAC Name:
2-butylsulfonylacetic acid
InChI:
InChI=1S/C6H12O4S/c1-2-3-4-11(9,10)5-6(7)8/h2-5H2,1H3,(H,7,8)
InChI Key:
BUEVTXQZLGSQGC-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)CC(=O)O
Properties
Complexity:
211  
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:
5  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties