[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid
Basic information
- CAS
91759-62-5- Standard SMILES
COc1cc(-c2nnn(CC(=O)O)n2)cc(OC)c1OC- InChIKey
WGHINWVEQFYYOY-UHFFFAOYSA-N- Molecular formula
- C12H14N4O5
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.09641956
Names & identifiers
- Preferred name
- [5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid
- IUPAC
- 2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetic acid
Names & synonyms
[5-(3,4,5-trimethoxyphenyl)-2H-tetrazol-2-yl]acetic acid91759-62-55-(3,4,5-Trimethoxyphenyl)-2H-tetrazole-2-acetic acidCBKinase1_007030CBKinase1_019430CHEMBL289578SCHEMBL172117302-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]acetic acidDTXSID401214036STK667270AKOS001686575SR-01000278560
Show more names
SR-01000278560-1BRD-K01542655-001-01-1
Database identifiers
- CAS
91759-62-5- PubChem CID
- 971473
- DTXSID
DTXSID401214036- ChEMBL
CHEMBL289578
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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