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Details

Stereochemistry MIXED
Molecular Formula C11H12O2
Molecular Weight 176.2118
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDROXY-3-METHYL-4-PHENYL-1-BUTYNE

SMILES

CC(O)(C#C)C(O)C1=CC=CC=C1

InChI

InChIKey=GQOXDWHRXDPZJK-UHFFFAOYSA-N
InChI=1S/C11H12O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h1,4-8,10,12-13H,2H3

HIDE SMILES / InChI

Molecular Formula C11H12O2
Molecular Weight 176.2118
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3N20VGJ39Y
Record Status Validated (UNII)
Record Version