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Details

Stereochemistry ACHIRAL
Molecular Formula C14H21NO3.ClH
Molecular Weight 287.782
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAL hydrochloride

SMILES

Cl.COC1=CC(CCN)=CC(OC)=C1OCC(C)=C

InChI

InChIKey=GCGJMVOSKDWSQD-UHFFFAOYSA-N
InChI=1S/C14H21NO3.ClH/c1-10(2)9-18-14-12(16-3)7-11(5-6-15)8-13(14)17-4;/h7-8H,1,5-6,9,15H2,2-4H3;1H

HIDE SMILES / InChI

Molecular Formula C14H21NO3
Molecular Weight 251.3214
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
BR49EHL4LK
Record Status Validated (UNII)
Record Version