Basic information
- Standard SMILES
O=C(O)CCCn1nnc2ccccc2c1=O- InChIKey
UFCNOKFGMNKFMO-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid
- IUPAC
- 4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid
Names & synonyms
97609-03-54-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanoic acid4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoic acid4-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanoic acid1,2,3-Benzotriazine-3(4H)-butanoic acid, 4-oxo-F0916-67384-(4-oxobenzo[d]1,2,3-triazin-3-yl)butanoic acidMFCD02935496Oprea1_198293SCHEMBL874199UFCNOKFGMNKFMO-UHFFFAOYSA-N
Show more names
SMSSF-0596162ALBB-015941SBB038019STK991536AKOS000267912NS-03077CS-0238239ST50134847
Database identifiers
- PubChem CID
- 4736743
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Related reactions
2 records
Compound notes
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