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2-{[2-(methanesulfonyloxy)propanoyl]oxy}propanoic acid

2-{[2-(methanesulfonyloxy)propanoyl]oxy}propanoic acid

CAS: 2682114-32-3

Formula: C7H12O7S

SMILES: CC(OC(=O)C(C)OS(C)(=O)=O)C(O)=O

IUPAC: 2-{[2-(methanesulfonyloxy)propanoyl]oxy}propanoic acid

InChI: InChI=1/C7H12O7S/c1-4(6(8)9)13-7(10)5(2)14-15(3,11)12/h4-5H,1-3H3,(H,8,9)

Composition: C (35.00%), H (5.04%), O (46.62%), S (13.35%)

Molar Mass: 240.23

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 240.0303739
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey QYNIIUDIDRPPGM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.94
Topological Polar Surface Area 106.97
Polarizability 20.14
Ring Count 0
Rotatable Bond Count 6

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