(1-Benzyl-1H-tetrazol-5-yl)acetic acid
Basic information
- CAS
64953-18-0- Standard SMILES
O=C(O)Cc1nnnn1Cc1ccccc1- InChIKey
ZKNAPHWBCZSHKN-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.08037557
Names & identifiers
- Preferred name
- (1-Benzyl-1H-tetrazol-5-yl)acetic acid
- IUPAC
- 2-(1-benzyltetrazol-5-yl)acetic acid
Names & synonyms
64953-18-0(1-Benzyl-1H-tetrazol-5-yl)acetic acid2-(1-Benzyl-1H-tetrazol-5-yl)acetic acidSCHEMBL12761278DTXSID70727651
Database identifiers
- CAS
64953-18-0- PubChem CID
- 57720014
- DTXSID
DTXSID70727651
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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