carbonic acid;ethanol

C3H8O4 — CID 87677821

IUPACcarbonic acid;ethanol
SMILESCCO.O=C(O)O
InChIInChI=1S/C2H6O.CH2O3/c1-2-3;2-1(3)4/h3H,2H2,1H3;(H2,2,3,4)
InChIKeyOHFQALRFLNKBNL-UHFFFAOYSA-N
MW108.09 g/mol
LogP0.22
Rot. Bonds

About carbonic acid;ethanol

carbonic acid;ethanol (PubChem CID 87677821) has the molecular formula C3H8O4 and a molecular weight of 108.09 g/mol. Its IUPAC name is carbonic acid;ethanol.

Molecular Properties

Compound Namecarbonic acid;ethanol
PubChem CID87677821
Molecular FormulaC3H8O4
Molecular Weight108.09 g/mol
Exact Mass108.04
IUPAC Namecarbonic acid;ethanol
SMILESCCO.O=C(O)O
InChIInChI=1S/C2H6O.CH2O3/c1-2-3;2-1(3)4/h3H,2H2,1H3;(H2,2,3,4)
InChIKeyOHFQALRFLNKBNL-UHFFFAOYSA-N
XLogP0.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethanol?
The IUPAC name of carbonic acid;ethanol (CID 87677821) is carbonic acid;ethanol.
What is the SMILES notation for carbonic acid;ethanol?
The canonical SMILES for carbonic acid;ethanol is CCO.O=C(O)O.
What is the InChIKey of carbonic acid;ethanol?
The InChIKey is OHFQALRFLNKBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.CH2O3/c1-2-3;2-1(3)4/h3H,2H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;ethanol?
carbonic acid;ethanol has a molecular weight of 108.09 g/mol, XLogP of 0.22, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethanol is sourced from PubChem (CID 87677821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).