acetic acid;carbonic acid

C7H14O9 — CID 157418112

IUPACacetic acid;carbonic acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=C(O)O
InChIInChI=1S/3C2H4O2.CH2O3/c3*1-2(3)4;2-1(3)4/h3*1H3,(H,3,4);(H2,2,3,4)
InChIKeyBPBXOPCCNDTSKG-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.50
Rot. Bonds

About acetic acid;carbonic acid

acetic acid;carbonic acid (PubChem CID 157418112) has the molecular formula C7H14O9 and a molecular weight of 242.18 g/mol. Its IUPAC name is acetic acid;carbonic acid.

Molecular Properties

Compound Nameacetic acid;carbonic acid
PubChem CID157418112
Molecular FormulaC7H14O9
Molecular Weight242.18 g/mol
Exact Mass242.06
IUPAC Nameacetic acid;carbonic acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=C(O)O
InChIInChI=1S/3C2H4O2.CH2O3/c3*1-2(3)4;2-1(3)4/h3*1H3,(H,3,4);(H2,2,3,4)
InChIKeyBPBXOPCCNDTSKG-UHFFFAOYSA-N
XLogP0.50
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;carbonic acid;ethane
CID 87357637
acetic acid
CID 158444727
acetic acid;alumane;carbonic acid;zinc
CID 174369792
acetic acid;methanol
CID 173388753
acetic acid;stibane
CID 173054099
acetic acid;ethane
CID 173226324
acetic acid;cobalt
CID 54602348
acetic acid;ethane
CID 173070051
acetic acid;tris(yttrium)
CID 59994727
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473
acetic acid;vanadium
CID 173443465

Frequently Asked Questions

What is the IUPAC name of acetic acid;carbonic acid?
The IUPAC name of acetic acid;carbonic acid (CID 157418112) 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.CC(=O)O.CC(=O)O.O=C(O)O.
What is the InChIKey of acetic acid;carbonic acid?
The InChIKey is BPBXOPCCNDTSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4O2.CH2O3/c3*1-2(3)4;2-1(3)4/h3*1H3,(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 242.18 g/mol, XLogP of 0.50, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbonic acid is sourced from PubChem (CID 157418112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).