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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O
Molecular Weight 112.1696
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-HEPTEN-2-ONE, (E)-

SMILES

C\C=C\CCC(C)=O

InChI

InChIKey=RTYRONIMTRDBLT-ONEGZZNKSA-N
InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+

HIDE SMILES / InChI

Molecular Formula C7H12O
Molecular Weight 112.1696
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
YGD1BH6T9S
Record Status Validated (UNII)
Record Version