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Details

Stereochemistry RACEMIC
Molecular Formula C10H14O
Molecular Weight 150.2176
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MYRTENAL, (±)-

SMILES

CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2

InChI

InChIKey=KMRMUZKLFIEVAO-IUCAKERBSA-N
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3/t8-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H14O
Molecular Weight 150.2176
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
8J97443QRZ
Record Status Validated (UNII)
Record Version