ISDA: 6DJI

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: GOG

IUPAC Name: 3-hydroxybenzene-1,2-dicarboxylic acid

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: C8 H6 O5

Molecular weight: 182.130

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 3

Rotatable Bonds: 3

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	3-hydroxybenzene-1,2-dicarboxylic acid
OpenEye OEToolkits	2.0.6	3-oxidanylphthalic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c(C(O)=O)cccc1O)C(O)=O
InChI	InChI	1.03	InChI=1S/C8H6O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey	InChI	1.03	MNUOZFHYBCRUOD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)c1cccc(O)c1C(O)=O
SMILES	CACTVS	3.385	OC(=O)c1cccc(O)c1C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(c(c(c1)O)C(=O)O)C(=O)O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(c(c1)O)C(=O)O)C(=O)O

Chemical Database Mapping