carboxy hydrogen carbonate;dichloromethane

C3H4Cl2O5 — CID 88783649

IUPACcarboxy hydrogen carbonate;dichloromethane
SMILESClCCl.O=C(O)OC(=O)O
InChIInChI=1S/C2H2O5.CH2Cl2/c3-1(4)7-2(5)6;2-1-3/h(H,3,4)(H,5,6);1H2
InChIKeyQFVQXXZWYQRKKV-UHFFFAOYSA-N
MW190.97 g/mol
LogP1.78
Rot. Bonds

About carboxy hydrogen carbonate;dichloromethane

carboxy hydrogen carbonate;dichloromethane (PubChem CID 88783649) has the molecular formula C3H4Cl2O5 and a molecular weight of 190.97 g/mol. Its IUPAC name is carboxy hydrogen carbonate;dichloromethane.

Molecular Properties

Compound Namecarboxy hydrogen carbonate;dichloromethane
PubChem CID88783649
Molecular FormulaC3H4Cl2O5
Molecular Weight190.97 g/mol
Exact Mass189.94
IUPAC Namecarboxy hydrogen carbonate;dichloromethane
SMILESClCCl.O=C(O)OC(=O)O
InChIInChI=1S/C2H2O5.CH2Cl2/c3-1(4)7-2(5)6;2-1-3/h(H,3,4)(H,5,6);1H2
InChIKeyQFVQXXZWYQRKKV-UHFFFAOYSA-N
XLogP1.78
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.97
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carboxy hydrogen carbonate;hydrochloride
CID 141485807
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
dichloromethane;methyl hydrogen carbonate
CID 160547489
carboxy hydrogen carbonate;ethanol
CID 175149724
carbonic acid;dichloromethane
CID 87514103
dicarboxy carbonate
CID 18671322
adamantane;carboxy hydrogen carbonate
CID 87605200
trisodium;carboxy carbonate;dihydrate
CID 140596091
acetic acid;(dichloromethane);methanol
CID 173388034
dicarboxy carbonate;manganese
CID 174775106
carboxy hydrogen carbonate;1,2-dimethylcyclopropane
CID 88768379
carbamic acid;2-chloroacetamide
CID 87428505

Frequently Asked Questions

What is the IUPAC name of carboxy hydrogen carbonate;dichloromethane?
The IUPAC name of carboxy hydrogen carbonate;dichloromethane (CID 88783649) is carboxy hydrogen carbonate;dichloromethane.
What is the SMILES notation for carboxy hydrogen carbonate;dichloromethane?
The canonical SMILES for carboxy hydrogen carbonate;dichloromethane is ClCCl.O=C(O)OC(=O)O.
What is the InChIKey of carboxy hydrogen carbonate;dichloromethane?
The InChIKey is QFVQXXZWYQRKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O5.CH2Cl2/c3-1(4)7-2(5)6;2-1-3/h(H,3,4)(H,5,6);1H2.
What are the key properties of carboxy hydrogen carbonate;dichloromethane?
carboxy hydrogen carbonate;dichloromethane has a molecular weight of 190.97 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy hydrogen carbonate;dichloromethane is sourced from PubChem (CID 88783649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).