Basic information
- CAS
77475-33-3- Standard SMILES
O=C(O)Cc1nnc2ccccc2n1- InChIKey
BFLNXWWHKYAJCP-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.05382648
Names & identifiers
- Preferred name
- 1,2,4-Benzotriazine-3-acetic acid
- IUPAC
- 2-(1,2,4-benzotriazin-3-yl)acetic acid
- English name
- 1,2,4-Benzotriazine-3-acetic acid
- Molecular formula
- C9H7N3O2
- Molecular weight
- 189.17
Names & synonyms
77475-33-31,2,4-Benzotriazine-3-acetic acidDTXSID20228188RefChem:214902DTXCID401506792-(benzo[e][1,2,4]triazin-3-yl)acetic acid1,2,4-Benzotriazine-3-aceticacidTQP0589AKOS006276841(1,2,4-Benzotriazin-3-yl)acetic acid2-benzo[e]1,2,4-triazin-3-ylacetic acidST51036125
Database identifiers
- CAS
77475-33-3- PubChem CID
- 54959
- DTXSID
DTXSID20228188
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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