methyl hydrogen carbonate;sulfuric acid

C2H6O7S — CID 172863213

IUPACmethyl hydrogen carbonate;sulfuric acid
SMILESCOC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C2H4O3.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H,3,4);(H2,1,2,3,4)
InChIKeyZQEBLTSVBDSGRH-UHFFFAOYSA-N
MW174.13 g/mol
LogP-0.34
Rot. Bonds

About methyl hydrogen carbonate;sulfuric acid

methyl hydrogen carbonate;sulfuric acid (PubChem CID 172863213) has the molecular formula C2H6O7S and a molecular weight of 174.13 g/mol. Its IUPAC name is methyl hydrogen carbonate;sulfuric acid.

Molecular Properties

Compound Namemethyl hydrogen carbonate;sulfuric acid
PubChem CID172863213
Molecular FormulaC2H6O7S
Molecular Weight174.13 g/mol
Exact Mass173.98
IUPAC Namemethyl hydrogen carbonate;sulfuric acid
SMILESCOC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C2H4O3.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H,3,4);(H2,1,2,3,4)
InChIKeyZQEBLTSVBDSGRH-UHFFFAOYSA-N
XLogP-0.34
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;methyl hydrogen carbonate
CID 175554276
methyl hydrogen carbonate;propan-2-one
CID 157174234
dimethylsilane;methyl hydrogen carbonate
CID 175108197
acetic acid;sulfuric acid
CID 172861121
acetic acid;sulfuric acid
CID 158118264
acetic acid;sulfuric acid
CID 157312003
dichloromethane;methyl hydrogen carbonate
CID 160547489
methanesulfonic acid;methyl acetate
CID 172690689
CID 87972700
CID 87972700
benzene;ethane;methanesulfonic acid;methyl acetate
CID 161432944
methyl hydrogen sulfate;oxalic acid
CID 88784416
dilithium;carbonic acid;hydride;sulfuric acid
CID 173345515

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate;sulfuric acid?
The IUPAC name of methyl hydrogen carbonate;sulfuric acid (CID 172863213) is methyl hydrogen carbonate;sulfuric acid.
What is the SMILES notation for methyl hydrogen carbonate;sulfuric acid?
The canonical SMILES for methyl hydrogen carbonate;sulfuric acid is COC(=O)O.O=S(=O)(O)O.
What is the InChIKey of methyl hydrogen carbonate;sulfuric acid?
The InChIKey is ZQEBLTSVBDSGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H,3,4);(H2,1,2,3,4).
What are the key properties of methyl hydrogen carbonate;sulfuric acid?
methyl hydrogen carbonate;sulfuric acid has a molecular weight of 174.13 g/mol, XLogP of -0.34, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate;sulfuric acid is sourced from PubChem (CID 172863213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).