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(1r,4r)-cyclohexane-1,4-diol

(1r,4r)-cyclohexane-1,4-diol

CAS: 6995-79-5

Formula: C6H12O2

SMILES: O[C@H]1CC[C@H](O)CC1

IUPAC: (1r,4r)-cyclohexane-1,4-diol

InChI: InChI=1/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6-

Composition: C (62.04%), H (10.41%), O (27.55%)

Molar Mass: 116.16

Atom Count: 20

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 116.083729626
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey VKONPUDBRVKQLM-IZLXSQMJNA-N
Lipinski's Rule of Five 1
Molar Refractivity 30.94
Topological Polar Surface Area 40.46
Polarizability 12.31
Ring Count 1
Rotatable Bond Count 0

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98% <7 Days 6995-79-5 $7.25-$431.60$7.25$8.28$26.91$120.06$431.60
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