acetic acid;carbonic acid

C3H6O5 — CID 87383555

IUPACacetic acid;carbonic acid
SMILESCC(=O)O.O=C(O)O
InChIInChI=1S/C2H4O2.CH2O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);(H2,2,3,4)
InChIKeyJOJMQRPFXIKGJG-UHFFFAOYSA-N
MW122.08 g/mol
LogP0.31
Rot. Bonds

About acetic acid;carbonic acid

acetic acid;carbonic acid (PubChem CID 87383555) has the molecular formula C3H6O5 and a molecular weight of 122.08 g/mol. Its IUPAC name is acetic acid;carbonic acid.

Molecular Properties

Compound Nameacetic acid;carbonic acid
PubChem CID87383555
Molecular FormulaC3H6O5
Molecular Weight122.08 g/mol
Exact Mass122.02
IUPAC Nameacetic acid;carbonic acid
SMILESCC(=O)O.O=C(O)O
InChIInChI=1S/C2H4O2.CH2O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);(H2,2,3,4)
InChIKeyJOJMQRPFXIKGJG-UHFFFAOYSA-N
XLogP0.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;carbonic acid?
The IUPAC name of acetic acid;carbonic acid (CID 87383555) is acetic acid;carbonic acid.
What is the SMILES notation for acetic acid;carbonic acid?
The canonical SMILES for acetic acid;carbonic acid is CC(=O)O.O=C(O)O.
What is the InChIKey of acetic acid;carbonic acid?
The InChIKey is JOJMQRPFXIKGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH2O3/c1-2(3)4;2-1(3)4/h1H3,(H,3,4);(H2,2,3,4).
What are the key properties of acetic acid;carbonic acid?
acetic acid;carbonic acid has a molecular weight of 122.08 g/mol, XLogP of 0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbonic acid is sourced from PubChem (CID 87383555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).