sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide

C10H10NaO5- — CID 140651607

IUPACsodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide
SMILESCOC(=O)c1c[c-]ccc1C(=O)OC.[Na+].[OH-]
InChIInChI=1S/C10H9O4.Na.H2O/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;;/h3,5-6H,1-2H3;;1H2/q-1;+1;/p-1
InChIKeyHGMXRXNKIUTBOP-UHFFFAOYSA-M
MW233.17 g/mol
LogP-2.11
Rot. Bonds2

About sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide

sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide (PubChem CID 140651607) has the molecular formula C10H10NaO5- and a molecular weight of 233.17 g/mol. Its IUPAC name is sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide.

Molecular Properties

Compound Namesodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide
PubChem CID140651607
Molecular FormulaC10H10NaO5-
Molecular Weight233.17 g/mol
Exact Mass233.04
IUPAC Namesodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide
SMILESCOC(=O)c1c[c-]ccc1C(=O)OC.[Na+].[OH-]
InChIInChI=1S/C10H9O4.Na.H2O/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;;/h3,5-6H,1-2H3;;1H2/q-1;+1;/p-1
InChIKeyHGMXRXNKIUTBOP-UHFFFAOYSA-M
XLogP-2.11
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 5-2.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
zinc methyl benzoate
CID 15977761
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
dimethylazanide;methyl benzoate;yttrium
CID 59047039
methyl 2-amino-5-methylsulfanylbenzoate
CID 12719204
sodium;methyl 2-amino-4-iodobenzoate;hydroxide
CID 172735794
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756

Frequently Asked Questions

What is the IUPAC name of sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide?
The IUPAC name of sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide (CID 140651607) is sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide.
What is the SMILES notation for sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide?
The canonical SMILES for sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide is COC(=O)c1c[c-]ccc1C(=O)OC.[Na+].[OH-].
What is the InChIKey of sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide?
The InChIKey is HGMXRXNKIUTBOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9O4.Na.H2O/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2;;/h3,5-6H,1-2H3;;1H2/q-1;+1;/p-1.
What are the key properties of sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide?
sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide has a molecular weight of 233.17 g/mol, XLogP of -2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dimethyl benzene-5-ide-1,2-dicarboxylate;hydroxide is sourced from PubChem (CID 140651607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).