acetic acid;formaldehyde;hydrate

C4H10O5 — CID 19350045

IUPACacetic acid;formaldehyde;hydrate
SMILESC=O.C=O.CC(=O)O.O
InChIInChI=1S/C2H4O2.2CH2O.H2O/c1-2(3)4;2*1-2;/h1H3,(H,3,4);2*1H2;1H2
InChIKeyOEXSFNBJIPMRTM-UHFFFAOYSA-N
MW138.12 g/mol
LogP-1.10
Rot. Bonds

About acetic acid;formaldehyde;hydrate

acetic acid;formaldehyde;hydrate (PubChem CID 19350045) has the molecular formula C4H10O5 and a molecular weight of 138.12 g/mol. Its IUPAC name is acetic acid;formaldehyde;hydrate.

Molecular Properties

Compound Nameacetic acid;formaldehyde;hydrate
PubChem CID19350045
Molecular FormulaC4H10O5
Molecular Weight138.12 g/mol
Exact Mass138.05
IUPAC Nameacetic acid;formaldehyde;hydrate
SMILESC=O.C=O.CC(=O)O.O
InChIInChI=1S/C2H4O2.2CH2O.H2O/c1-2(3)4;2*1-2;/h1H3,(H,3,4);2*1H2;1H2
InChIKeyOEXSFNBJIPMRTM-UHFFFAOYSA-N
XLogP-1.10
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;decahydrate
CID 163997764
calcium;acetic acid;formaldehyde;hydride
CID 173277282
acetic acid;acetonitrile;formaldehyde
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acetic acid;ethene
CID 172797220
acetic acid;manganese;tetrahydrate
CID 178069783
acetic acid;yttrium;pentahydrate
CID 172997379
acetic acid;hydrate;hydrobromide
CID 88815533
acetic acid;chromium;tetrahydrate
CID 173392510
CID 173007307
CID 173007307
acetic acid;iron;hexahydrate
CID 171714614
acetic acid;zinc;trihydrate
CID 173017451
acetic acid;terbium;dihydrate
CID 133188352

Frequently Asked Questions

What is the IUPAC name of acetic acid;formaldehyde;hydrate?
The IUPAC name of acetic acid;formaldehyde;hydrate (CID 19350045) is acetic acid;formaldehyde;hydrate.
What is the SMILES notation for acetic acid;formaldehyde;hydrate?
The canonical SMILES for acetic acid;formaldehyde;hydrate is C=O.C=O.CC(=O)O.O.
What is the InChIKey of acetic acid;formaldehyde;hydrate?
The InChIKey is OEXSFNBJIPMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.2CH2O.H2O/c1-2(3)4;2*1-2;/h1H3,(H,3,4);2*1H2;1H2.
What are the key properties of acetic acid;formaldehyde;hydrate?
acetic acid;formaldehyde;hydrate has a molecular weight of 138.12 g/mol, XLogP of -1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;formaldehyde;hydrate is sourced from PubChem (CID 19350045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).