Basic information
- Standard SMILES
COc1ccc(Cn2nnc(C(=O)[O-])n2)cc1- InChIKey
GILWHMFYKTWDRN-UHFFFAOYSA-M- Molecular formula
- C10H9N4O3-
- Average molar mass
- 233.2 g/mol
- Monoisotopic mass
- 233.06746516
Names & identifiers
- IUPAC
- 2-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylate
Database identifiers
- PubChem CID
- 154020085
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- -1
- Complexity
- 263
Related reactions
1 records
Compound notes
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