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hydroxy[(1r,4r)-4-(methoxycarbonyl)cyclohexyl]methanesulfonic acid sodium hydride

hydroxy[(1r,4r)-4-(methoxycarbonyl)cyclohexyl]methanesulfonic acid sodium hydride

CAS: 1259393-34-4

Formula: C9H17NaO6S

SMILES: [NaH].COC(=O)[C@H]1CC[C@@H](CC1)C(O)S(O)(=O)=O

IUPAC: hydroxy[(1r,4r)-4-(methoxycarbonyl)cyclohexyl]methanesulfonic acid sodium hydride

InChI: InChI=1/C9H16O6S.Na.H/c1-15-8(10)6-2-4-7(5-3-6)9(11)16(12,13)14;;/h6-7,9,11H,2-5H2,1H3,(H,12,13,14);;/t6-,7-,9?;;

Composition: C (39.13%), H (6.20%), Na (8.32%), O (34.75%), S (11.60%)

Molar Mass: 276.28

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 276.06435372
Formal Charge 0
FSP3 0.89
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey BWKPDCXQNZYVLG-SRBWKLDZNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.84
Topological Polar Surface Area 100.9
Polarizability 22.81
Ring Count 1
Rotatable Bond Count 4

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97% <5 Days 1259393-34-4 $94.58-$472.88$94.58$283.73$472.88
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