R8V

(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one

Created:	2020-02-10
Last modified:	2020-06-03

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4 entries where R8V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of R8V

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Chemical Component Summary
Name	(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
Systematic Name (OpenEye OEToolkits)	(3~{S})-2-methyl-3-oxidanyl-3~{H}-isoindol-1-one
Formula	C₉ H₉ N O₂
Molecular Weight	163.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc2c(cc1)C(N(C)C2O)=O
SMILES	CACTVS	3.385	CN1[CH](O)c2ccccc2C1=O
SMILES	OpenEye OEToolkits	2.0.6	CN1C(c2ccccc2C1=O)O
Canonical SMILES	CACTVS	3.385	CN1[C@@H](O)c2ccccc2C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1[C@H](c2ccccc2C1=O)O
InChI	InChI	1.03	InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1
InChIKey	InChI	1.03	UCEXMNLISKKYAE-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	819572
CCDC/CSD	WIQWIF

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