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Details

Stereochemistry ACHIRAL
Molecular Formula C6H14O2.6H2O
Molecular Weight 226.2658
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PINACOL HEXAHYDRATE

SMILES

O.O.O.O.O.O.CC(C)(O)C(C)(C)O

InChI

InChIKey=LEQNJUZEJVNIIP-UHFFFAOYSA-N
InChI=1S/C6H14O2.6H2O/c1-5(2,7)6(3,4)8;;;;;;/h7-8H,1-4H3;6*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
MOL RATIO 6 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H14O2
Molecular Weight 118.1742
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
01906GQ23R
Record Status Validated (UNII)
Record Version