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Details

Stereochemistry RACEMIC
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-THUJANOL, CIS-(±)-

SMILES

[H][C@@]12C[C@@]1(CC[C@]2(C)O)C(C)C

InChI

InChIKey=KXSDPILWMGFJMM-GUBZILKMSA-N
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
84AJP53J3O
Record Status Validated (UNII)
Record Version