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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 2-HEPTENAL, (2E)-

SMILES

CCCC\C=C\C=O

InChI

InChIKey=NDFKTBCGKNOHPJ-AATRIKPKSA-N
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+

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

PubMed

Substance Class Chemical
Record UNII
4NJZ8GMQ6F
Record Status Validated (UNII)
Record Version