5-(3-Methylphenyl)-2H-tetrazole-2-acetic acid
Basic information
- CAS
81595-01-9- Standard SMILES
Cc1cccc(-c2nnn(CC(=O)O)n2)c1- InChIKey
CVBGMDAJYPYVSR-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.08037557
Names & identifiers
- Preferred name
- 5-(3-Methylphenyl)-2H-tetrazole-2-acetic acid
- IUPAC
- 2-[5-(3-methylphenyl)tetrazol-2-yl]acetic acid
Names & synonyms
81595-01-95-(3-Methylphenyl)-2H-tetrazole-2-acetic acidRefChem:299720[5-(3-methylphenyl)-2H-tetrazol-2-yl]acetic acid2-(5-(M-tolyl)-2H-tetrazol-2-yl)acetic acid2-[5-(3-methylphenyl)tetrazol-2-yl]acetic acidOprea1_023369Oprea1_327613CHEMBL5495465DTXSID001252913STK667294AKOS000661371
Show more names
ST4106435CS-03646825-(m-methylphenyl)-2h-tetrazolyl-acetic acid2-[5-(3-methylphenyl)-1,2,3,4-tetraazol-2-yl]acetic acid
Database identifiers
- CAS
81595-01-9- PubChem CID
- 860116
- DTXSID
DTXSID001252913- ChEMBL
CHEMBL5495465
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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