Methyl 2-(2H-tetrazol-2-yl)propanoate
Basic information
- CAS
103557-30-8- Standard SMILES
COC(=O)C(C)n1ncnn1- InChIKey
JGNXDBJBTQJZOW-UHFFFAOYSA-N- Molecular formula
- C5H8N4O2
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.06472551
Names & identifiers
- Preferred name
- Methyl 2-(2H-tetrazol-2-yl)propanoate
- IUPAC
- methyl 2-(tetrazol-2-yl)propanoate
- English name
- 2H-Tetrazole-2-aceticacid,alpha-methyl-,methylester(9CI)
- Molecular formula
- C5H8N4O2
- Molecular weight
- 0
Names & synonyms
103557-30-8Methyl 2-(2H-tetrazol-2-yl)propanoatemethyl 2-(tetrazol-2-yl)propanoateSCHEMBL104924512H-Tetrazole-2-aceticacid,alpha-methyl-,methylester(9CI)DTXSID10601946JGNXDBJBTQJZOW-UHFFFAOYSA-Nmethyl-2-(2H-tetrazol-2-yl)propionatemethyl 2-(1,2,3,4-2H-tetrazol-2-yl)propionate
Database identifiers
- CAS
103557-30-8- PubChem CID
- 20042589
- DTXSID
DTXSID10601946
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
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Related reactions
2 records
Compound notes
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