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A1JX9

Summary
Name:7-methoxy-2-oxidanyl-3,4-dihydro-1,2$l^{5}-benzoxaphosphinine 2-oxide
Formula:C9 H9 O4 P
Formal charge:0
Formula weight:212.139 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-methoxy-2-oxidanyl-1,2$l^{5}-benzoxaphosphinine 2-oxide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C9H9O4P/c1-12-8-3-2-7-4-5-14(10,11)13-9(7)6-8/h2-6H,1H3,(H,10,11)
InChIKeyInChI1.06IWBMFAMGXVVNQW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2C=C[P](O)(=O)Oc2c1
SMILESCACTVS3.385COc1ccc2C=C[P](O)(=O)Oc2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc2c(c1)OP(=O)(C=C2)O
SMILESOpenEye OEToolkits2.0.7COc1ccc2c(c1)OP(=O)(C=C2)O

255900

PDB entries from 2026-07-01

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