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1-methanesulfonylcyclopropane-1-carboxylic acid

1-methanesulfonylcyclopropane-1-carboxylic acid

CAS: 1249197-58-7

Formula: C5H8O4S

SMILES: CS(=O)(=O)C1(CC1)C(O)=O

IUPAC: 1-methanesulfonylcyclopropane-1-carboxylic acid

InChI: InChI=1S/C5H8O4S/c1-10(8,9)5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)

Composition: C (36.58%), H (4.91%), O (38.98%), S (19.53%)

Molar Mass: 164.18

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 164.014329912
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey SSESRMFTJIQDNB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.62
Topological Polar Surface Area 71.44
Polarizability 14.1
Ring Count 1
Rotatable Bond Count 2

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97% <7 Days 1249197-58-7 $413.27-$3,529.63$413.27$490.88$989.23$2,501.13$3,529.63
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97% <5 Days 1249197-58-7 $186.63-$766.69$186.63$297.60$496.83$766.69
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