4-(1-Methyltetrazol-5-yl)benzoic acid
Basic information
- CAS
501662-54-0- Standard SMILES
Cn1nnnc1-c1ccc(C(=O)O)cc1- InChIKey
MCMCXXODMGTCCM-UHFFFAOYSA-N- Molecular formula
- C9H8N4O2
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 204.06472551
Names & identifiers
- Preferred name
- 4-(1-Methyltetrazol-5-yl)benzoic acid
- IUPAC
- 4-(1-methyltetrazol-5-yl)benzoic acid
Names & synonyms
501662-54-04-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)benzoic acid4-(1-methyl-1H-Tetrazol-5-YL)-Benzoic acid4-(1-methyltetrazol-5-yl)benzoic acidNSC338092SCHEMBL14575819DTXSID30318928MFCD09035884AKOS004118115NSC-338092NS-021384-(1-Methyl-1H-tetrazol-5-yl)benzoic acid
Database identifiers
- CAS
501662-54-0- PubChem CID
- 333940
- DTXSID
DTXSID30318928
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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