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89730-25-6 | Cyclopentanecarboxylic acid, 2-[chloro(methylsulfonyl)methyl]-
CAS No: 89730-25-6 Catalog No: AG0041XT MDL No:
Product Description
Catalog Number:
AG0041XT
Chemical Name:
Cyclopentanecarboxylic acid, 2-[chloro(methylsulfonyl)methyl]-
CAS Number:
89730-25-6
Molecular Formula:
C8H13ClO4S
Molecular Weight:
240.7044
IUPAC Name:
2-[chloro(methylsulfonyl)methyl]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C8H13ClO4S/c1-14(12,13)7(9)5-3-2-4-6(5)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
InChI Key:
HGBVRVHJIWMIGZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC1C(S(=O)(=O)C)Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.698g/mol
Monoisotopic Mass:
240.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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