4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoic acid

HCID 4736743

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

Related reactions

2 records

Compound notes

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