718

6-hydroxy-3,4-dihydronaphthalen-1(2H)-one

Created:	2016-08-09
Last modified:	2017-02-15

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1 entries where 718 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of 718

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Chemical Component Summary
Name	6-hydroxy-3,4-dihydronaphthalen-1(2H)-one
Systematic Name (OpenEye OEToolkits)	6-oxidanyl-3,4-dihydro-2~{H}-naphthalen-1-one
Formula	C₁₀ H₁₀ O₂
Molecular Weight	162.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c21C(=O)CCCc1cc(cc2)O
SMILES	CACTVS	3.385	Oc1ccc2C(=O)CCCc2c1
SMILES	OpenEye OEToolkits	2.0.5	c1cc2c(cc1O)CCCC2=O
Canonical SMILES	CACTVS	3.385	Oc1ccc2C(=O)CCCc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc2c(cc1O)CCCC2=O
InChI	InChI	1.03	InChI=1S/C10H10O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6,11H,1-3H2
InChIKey	InChI	1.03	FNSQPQKPPGALFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4679494
ChEMBL	CHEMBL3288306

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.