magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride

C10H12MgO7S — CID 175550804

IUPACmagnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride
SMILESCOC(=O)c1cccc(S(=O)(=O)O)c1C(=O)OC.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H10O7S.Mg.2H/c1-16-9(11)6-4-3-5-7(18(13,14)15)8(6)10(12)17-2;;;/h3-5H,1-2H3,(H,13,14,15);;;/q;+2;2*-1
InChIKeyRSDLHSDZCSVFIJ-UHFFFAOYSA-N
MW300.57 g/mol
LogP0.35
Rot. Bonds3

About magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride

magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride (PubChem CID 175550804) has the molecular formula C10H12MgO7S and a molecular weight of 300.57 g/mol. Its IUPAC name is magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride.

Molecular Properties

Compound Namemagnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride
PubChem CID175550804
Molecular FormulaC10H12MgO7S
Molecular Weight300.57 g/mol
Exact Mass300.02
IUPAC Namemagnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride
SMILESCOC(=O)c1cccc(S(=O)(=O)O)c1C(=O)OC.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H10O7S.Mg.2H/c1-16-9(11)6-4-3-5-7(18(13,14)15)8(6)10(12)17-2;;;/h3-5H,1-2H3,(H,13,14,15);;;/q;+2;2*-1
InChIKeyRSDLHSDZCSVFIJ-UHFFFAOYSA-N
XLogP0.35
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.57
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,3-bis[(2-methylpropan-2-yl)oxycarbonyl]benzenesulfonic acid
CID 140519484
ethane;2-methoxy-3-methoxycarbonylbenzenesulfonic acid
CID 175529964
potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride
CID 173123747
2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydrate
CID 172770358
2,3-bis(butoxycarbonyl)benzenesulfonic acid
CID 140519483
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
2,3-bis(dodecoxycarbonyl)benzenesulfonic acid
CID 154331341
dimethyl 3-trimethylsilylbenzene-1,2-dicarboxylate
CID 24938477
methyl 2-(2,2-dimethylpropanoyl)-3-methylbenzoate
CID 22922977
dimethyl 2-tert-butylsulfonylbenzene-1,3-dicarboxylate
CID 15782892
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride?
The IUPAC name of magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride (CID 175550804) is magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride.
What is the SMILES notation for magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride?
The canonical SMILES for magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride is COC(=O)c1cccc(S(=O)(=O)O)c1C(=O)OC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride?
The InChIKey is RSDLHSDZCSVFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7S.Mg.2H/c1-16-9(11)6-4-3-5-7(18(13,14)15)8(6)10(12)17-2;;;/h3-5H,1-2H3,(H,13,14,15);;;/q;+2;2*-1.
What are the key properties of magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride?
magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride has a molecular weight of 300.57 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride is sourced from PubChem (CID 175550804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).