CAS
5743-16-8 Purity
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5743-16-8 Purity
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Caffeine salicylate
CAS
5743-22-6
Catalog Number
ACM5743226
Category
Other Products
Molecular Weight
332.311 g/mol
Molecular Formula
C8H10N4O2.C7H6O3
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Specification
Synonyms
1,3,7-Trimethyl-3,7-dihydro-purin-2,6-dion; Caffeine salicylate; EINECS 227-259-4; Kaffein,Salicylat; 1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione,caffeine,salicylate; Salicylic acid,compd. with caffeine (1:1);
IUPAC Name
2-hydroxybenzoic acid; 1,3,7-trimethylpurine-2,6-dione
Canonical SMILES
CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC=C(C(=C1)C(=O)O)O
InChI Key
SVXXBCDDJXZXOZ-UHFFFAOYSA-N
Boiling Point
416.8ºC at 760mmHg
Flash Point
205.9ºC
EC Number
227-259-4
Exact Mass
332.11200
H-Bond Acceptor
6
H-Bond Donor
2
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