261350-47-4
4,5,6,7-TETRAHYDRO-2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID
Name
4,5,6,7-TETRAHYDRO-2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID
Formula
C8 H9 N O3
MolWeight
167.163
1Identification
【Name】
4,5,6,7-TETRAHYDRO-2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD10566736
【English Synonyms】
【Formula】
C8 H9 N O3
【MolWeight】
167.163
【Inchi】
InChI=1S/C8H9NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H2,(H,10,11)
【InChIKey】
InChIKey=RZZGDFMRRLFKRP-UHFFFAOYSA-N
【SMILES】
C1CCc2c(c(on2)C(=O)O)C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4,5,6,7-TETRAHYDRO-2,1-BENZISOXAZOLE-3-CARBOXYLIC ACID.cml
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