Home Sulfos 1-methanesulfonylcyclopentane-1-carboxylic acid

1-methanesulfonylcyclopentane-1-carboxylic acid

CAS No.:
1235439-64-1
Catalog Number:
AG01A863
Molecular Formula:
C7H12O4S
Molecular Weight:
192.2328
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Product Description
Catalog Number:
AG01A863
Chemical Name:
1-methanesulfonylcyclopentane-1-carboxylic acid
CAS Number:
1235439-64-1
Molecular Formula:
C7H12O4S
Molecular Weight:
192.2328
MDL Number:
MFCD16040005
IUPAC Name:
1-methylsulfonylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C7H12O4S/c1-12(10,11)7(6(8)9)4-2-3-5-7/h2-5H2,1H3,(H,8,9)
InChI Key:
IFMFSZSZOPWEIH-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCCC1)S(=O)(=O)C
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.229g/mol
Monoisotopic Mass:
192.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties