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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14O3
Molecular Weight 170.2057
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOONEIN

SMILES

[H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])C(=O)OCC2

InChI

InChIKey=WJMOFJJTTHNUOH-DKXJUACHSA-N
InChI=1S/C9H14O3/c1-5-7(10)4-6-2-3-12-9(11)8(5)6/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H14O3
Molecular Weight 170.2057
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WC2BAD993T
Record Status Validated (UNII)
Record Version