Basic information
- CAS
93770-56-0- Standard SMILES
Cc1cccc(-c2ccc(-c3nnnn3CC(=O)O)o2)c1- InChIKey
KBMPCIIFQMNVED-UHFFFAOYSA-N- Molecular formula
- C14H12N4O3
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.09094026
Names & identifiers
- Preferred name
- 1H-Tetrazole-1-acetic acid, 5-(5-(3-methylphenyl)-2-furanyl)-
- IUPAC
- 2-[5-[5-(3-methylphenyl)furan-2-yl]tetrazol-1-yl]acetic acid
Names & synonyms
BRN 471026593770-56-01H-Tetrazole-1-acetic acid, 5-(5-(3-methylphenyl)-2-furanyl)-5-(5-(3-Methylphenyl)-2-furanyl)-1H-tetrazole-1-acetic acidDTXSID10239586RefChem:240945DTXCID60162077{5-[5-(3-Methylphenyl)furan-2-yl]-1H-tetrazol-1-yl}acetic acid
Database identifiers
- CAS
93770-56-0- PubChem CID
- 3022232
- DTXSID
DTXSID10239586
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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