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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10N4O2.C7H6O3
Molecular Weight 332.3113
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFFEINE SALICYLATE

SMILES

OC(=O)C1=C(O)C=CC=C1.CN2C=NC3=C2C(=O)N(C)C(=O)N3C

InChI

InChIKey=SVXXBCDDJXZXOZ-UHFFFAOYSA-N
InChI=1S/C8H10N4O2.C7H6O3/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10/h4H,1-3H3;1-4,8H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H6O3
Molecular Weight 138.1207
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 C8H10N4O2
Molecular Weight 194.1906
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
U7R78VQQ6O
Record Status Validated (UNII)
Record Version