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Basic information
- CAS
53908-20-6- Standard SMILES
CC(=O)Oc1ccccc1C(=O)O.Cn1c(=O)c2c(ncn2C)n(C)c1=O- InChIKey
AEDBPCUEFFFHBP-UHFFFAOYSA-N- Molecular formula
- C17H18N4O6
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 374.12263431
Names & identifiers
- Preferred name
- 2-(Acetyloxy)benzoic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
- IUPAC
- 2-acetyloxybenzoic acid;1,3,7-trimethylpurine-2,6-dione
- English name
- Anacin
- Molecular formula
- C17H18N4O6
- Molecular weight
- 374.35
Names & synonyms
53908-20-6SCHEMBL18152858DTXSID002021832-(Acetyloxy)benzoic acid mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dioneBenzoic acid, 2-(acetyloxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione2-(Acetyloxy)benzoic acid--1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1)Anacin
Database identifiers
- CAS
53908-20-6- PubChem CID
- 150256
- DTXSID
DTXSID00202183
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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