737805-51-5
3A,4,5,8-TETRAHYDRO-6-METHYL-3H-PYRAZOLO[4,3-G]-2,1-BENZISOXAZOLE
Name3A,4,5,8-TETRAHYDRO-6-METHYL-3H-PYRAZOLO[4,3-G]-2,1-BENZISOXAZOLE
1Identification
【Name】
3A,4,5,8-TETRAHYDRO-6-METHYL-3H-PYRAZOLO[4,3-G]-2,1-BENZISOXAZOLE
【CAS】
【MDL】
MFCD16621374
【English Synonyms】
【Formula】
C9 H11 N3 O
【MolWeight】
177.206
【Inchi】
InChI=1S/C9H11N3O/c1-5-7-3-2-6-4-13-12-8(6)9(7)11-10-5/h6H,2-4H2,1H3,(H,10,11)
【InChIKey】
InChIKey=CZWQSDNRTADOSH-UHFFFAOYSA-N
【SMILES】
Cc1c2c([nH]n1)C3=NOCC3CC2
【MOL File】
3A,4,5,8-TETRAHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3A,4,5,8-TETRAHYDRO-6-METHYL-3H-PYRAZOLO[4,3-G]-2,1-BENZISOXAZOLE.cml