acetic acid;formic acid;methanol;hydrate

C4H12O6 — CID 162111021

IUPACacetic acid;formic acid;methanol;hydrate
SMILESCC(=O)O.CO.O.O=CO
InChIInChI=1S/C2H4O2.CH2O2.CH4O.H2O/c1-2(3)4;2-1-3;1-2;/h1H3,(H,3,4);1H,(H,2,3);2H,1H3;1H2
InChIKeyZGDPJFDIKFSDPR-UHFFFAOYSA-N
MW156.13 g/mol
LogP-1.42
Rot. Bonds

About acetic acid;formic acid;methanol;hydrate

acetic acid;formic acid;methanol;hydrate (PubChem CID 162111021) has the molecular formula C4H12O6 and a molecular weight of 156.13 g/mol. Its IUPAC name is acetic acid;formic acid;methanol;hydrate.

Molecular Properties

Compound Nameacetic acid;formic acid;methanol;hydrate
PubChem CID162111021
Molecular FormulaC4H12O6
Molecular Weight156.13 g/mol
Exact Mass156.06
IUPAC Nameacetic acid;formic acid;methanol;hydrate
SMILESCC(=O)O.CO.O.O=CO
InChIInChI=1S/C2H4O2.CH2O2.CH4O.H2O/c1-2(3)4;2-1-3;1-2;/h1H3,(H,3,4);1H,(H,2,3);2H,1H3;1H2
InChIKeyZGDPJFDIKFSDPR-UHFFFAOYSA-N
XLogP-1.42
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

acetic acid;formic acid;hydrate
CID 158162755
acetic acid;formic acid;hydrogen peroxide
CID 172718921
acetic acid;formic acid;methanamine
CID 174229487
acetic acid;gadolinium;hexahydrate
CID 174991979
acetic acid;but-2-enedioic acid;formic acid
CID 160941999
acetic acid;methanol
CID 173388753
acetic acid;decahydrate
CID 163997764
acetic acid;chloromethane;methanol;hydrate
CID 174924395
acetic acid;formic acid;2,2,2-trifluoroacetic acid
CID 162535427
acetic acid;titanium;hydrate
CID 155783844
acetic acid;nickel;tetrahydrate
CID 173328850
acetic acid;zinc;nonahydrate
CID 174979738

Frequently Asked Questions

What is the IUPAC name of acetic acid;formic acid;methanol;hydrate?
The IUPAC name of acetic acid;formic acid;methanol;hydrate (CID 162111021) is acetic acid;formic acid;methanol;hydrate.
What is the SMILES notation for acetic acid;formic acid;methanol;hydrate?
The canonical SMILES for acetic acid;formic acid;methanol;hydrate is CC(=O)O.CO.O.O=CO.
What is the InChIKey of acetic acid;formic acid;methanol;hydrate?
The InChIKey is ZGDPJFDIKFSDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH2O2.CH4O.H2O/c1-2(3)4;2-1-3;1-2;/h1H3,(H,3,4);1H,(H,2,3);2H,1H3;1H2.
What are the key properties of acetic acid;formic acid;methanol;hydrate?
acetic acid;formic acid;methanol;hydrate has a molecular weight of 156.13 g/mol, XLogP of -1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;formic acid;methanol;hydrate is sourced from PubChem (CID 162111021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).