ISDA: 9TYE

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1JX9

IUPAC Name: 7-methoxy-2-oxidanyl-3,4-dihydro-1,2$l^{5}-benzoxaphosphinine 2-oxide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=[PH]1C=Cc2ccccc2O1

InChI: InChI=1S/C8H7O2P/c9-11-6-5-7-3-1-2-4-8(7)10-11/h1-6,11H

InChI Key: ZJBVHPFEIOWSGX-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C9 H9 O4 P

Molecular weight: 212.139

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 1

Rotatable Bonds: 3

Heavy Atoms: 14

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	7-methoxy-2-oxidanyl-1,2$l^{5}-benzoxaphosphinine 2-oxide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C9H9O4P/c1-12-8-3-2-7-4-5-14(10,11)13-9(7)6-8/h2-6H,1H3,(H,10,11)
InChIKey	InChI	1.06	IWBMFAMGXVVNQW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2C=C[P](O)(=O)Oc2c1
SMILES	CACTVS	3.385	COc1ccc2C=C[P](O)(=O)Oc2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)OP(=O)(C=C2)O
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2c(c1)OP(=O)(C=C2)O