51672-79-8
3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID
Name
3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID
Formula
C10 H9 N3 O3
MolWeight
219.199
1Identification
【Name】
3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD02926470
【English Synonyms】
【Formula】
C10 H9 N3 O3
【MolWeight】
219.199
【Inchi】
InChI=1S/C10H9N3O3/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)11-12-13/h1-4H,5-6H2,(H,14,15)
【InChIKey】
InChIKey=AHKDQGZBLDBPNI-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(=O)n(nn2)CCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-OXO-1,2,3-BENZOTRIAZIN-3(4H)-YL)PROPANOIC ACID.cml
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