2-hydroxyethyl hydrogen carbonate

C3H6O4 — CID 18349963

IUPAC2-hydroxyethyl hydrogen carbonate
SMILESO=C(O)OCCO
InChIInChI=1S/C3H6O4/c4-1-2-7-3(5)6/h4H,1-2H2,(H,5,6)
InChIKeyBBRSEFOSZWEMPE-UHFFFAOYSA-N
MW106.08 g/mol
LogP-0.33
Rot. Bonds2

About 2-hydroxyethyl hydrogen carbonate

2-hydroxyethyl hydrogen carbonate (PubChem CID 18349963) has the molecular formula C3H6O4 and a molecular weight of 106.08 g/mol. Its IUPAC name is 2-hydroxyethyl hydrogen carbonate.

Molecular Properties

Compound Name2-hydroxyethyl hydrogen carbonate
PubChem CID18349963
Molecular FormulaC3H6O4
Molecular Weight106.08 g/mol
Exact Mass106.03
IUPAC Name2-hydroxyethyl hydrogen carbonate
SMILESO=C(O)OCCO
InChIInChI=1S/C3H6O4/c4-1-2-7-3(5)6/h4H,1-2H2,(H,5,6)
InChIKeyBBRSEFOSZWEMPE-UHFFFAOYSA-N
XLogP-0.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl hydrogen carbonate?
The IUPAC name of 2-hydroxyethyl hydrogen carbonate (CID 18349963) is 2-hydroxyethyl hydrogen carbonate.
What is the SMILES notation for 2-hydroxyethyl hydrogen carbonate?
The canonical SMILES for 2-hydroxyethyl hydrogen carbonate is O=C(O)OCCO.
What is the InChIKey of 2-hydroxyethyl hydrogen carbonate?
The InChIKey is BBRSEFOSZWEMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O4/c4-1-2-7-3(5)6/h4H,1-2H2,(H,5,6).
What are the key properties of 2-hydroxyethyl hydrogen carbonate?
2-hydroxyethyl hydrogen carbonate has a molecular weight of 106.08 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl hydrogen carbonate is sourced from PubChem (CID 18349963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).