carboxy hydrogen carbonate;hydrochloride

C2H3ClO5 — CID 141485807

IUPACcarboxy hydrogen carbonate;hydrochloride
SMILESCl.O=C(O)OC(=O)O
InChIInChI=1S/C2H2O5.ClH/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);1H
InChIKeyRRBCNMHXBOEPIX-UHFFFAOYSA-N
MW142.49 g/mol
LogP0.78
Rot. Bonds

About carboxy hydrogen carbonate;hydrochloride

carboxy hydrogen carbonate;hydrochloride (PubChem CID 141485807) has the molecular formula C2H3ClO5 and a molecular weight of 142.49 g/mol. Its IUPAC name is carboxy hydrogen carbonate;hydrochloride.

Molecular Properties

Compound Namecarboxy hydrogen carbonate;hydrochloride
PubChem CID141485807
Molecular FormulaC2H3ClO5
Molecular Weight142.49 g/mol
Exact Mass141.97
IUPAC Namecarboxy hydrogen carbonate;hydrochloride
SMILESCl.O=C(O)OC(=O)O
InChIInChI=1S/C2H2O5.ClH/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);1H
InChIKeyRRBCNMHXBOEPIX-UHFFFAOYSA-N
XLogP0.78
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.49
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carboxy hydrogen carbonate;hydrochloride?
The IUPAC name of carboxy hydrogen carbonate;hydrochloride (CID 141485807) is carboxy hydrogen carbonate;hydrochloride.
What is the SMILES notation for carboxy hydrogen carbonate;hydrochloride?
The canonical SMILES for carboxy hydrogen carbonate;hydrochloride is Cl.O=C(O)OC(=O)O.
What is the InChIKey of carboxy hydrogen carbonate;hydrochloride?
The InChIKey is RRBCNMHXBOEPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O5.ClH/c3-1(4)7-2(5)6;/h(H,3,4)(H,5,6);1H.
What are the key properties of carboxy hydrogen carbonate;hydrochloride?
carboxy hydrogen carbonate;hydrochloride has a molecular weight of 142.49 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy hydrogen carbonate;hydrochloride is sourced from PubChem (CID 141485807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).