860225-11-2
6,7,8,9-TETRAHYDRO-5H-TETRAZOLO[1,5-A]AZEPINE-9-CARBOXYLIC ACID
Name6,7,8,9-TETRAHYDRO-5H-TETRAZOLO[1,5-A]AZEPINE-9-CARBOXYLIC ACID
1Identification
【Name】
6,7,8,9-TETRAHYDRO-5H-TETRAZOLO[1,5-A]AZEPINE-9-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09743353
【English Synonyms】
【Formula】
C7 H10 N4 O2
【MolWeight】
182.182
【Inchi】
InChI=1S/C7H10N4O2/c12-7(13)5-3-1-2-4-11-6(5)8-9-10-11/h5H,1-4H2,(H,12,13)
【InChIKey】
InChIKey=UCVHFOGXOVXTGF-UHFFFAOYSA-N
【SMILES】
C1CCn2c(nnn2)C(C1)C(=O)O
【MOL File】
6,7,8,9-TETRAHYDRO-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6,7,8,9-TETRAHYDRO-5H-TETRAZOLO[1,5-A]AZEPINE-9-CARBOXYLIC ACID.cml