ISDA: 5ST1

UVO

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: UVO

IUPAC Name: 5-methoxy-2-nitrosophenol

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccccc1

InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C7 H7 N O3

Molecular weight: 153.135

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 1

Rotatable Bonds: 4

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	5-methoxy-2-nitrosophenol
OpenEye OEToolkits	2.0.7	5-methoxy-2-nitroso-phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=Nc1ccc(cc1O)OC
InChI	InChI	1.06	InChI=1S/C7H7NO3/c1-11-5-2-3-6(8-10)7(9)4-5/h2-4,9H,1H3
InChIKey	InChI	1.06	RNBFLAJNUZQUIK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(N=O)c(O)c1
SMILES	CACTVS	3.385	COc1ccc(N=O)c(O)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc(c(c1)O)N=O
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(c(c1)O)N=O

Chemical Database Mapping

Database	Reference ID
PubChem	83801
ZINC	ZINC000038821552
SureChEMBL	SCHEMBL8540732