formyl acetate;trihydrate

C3H10O6 — CID 174475141

IUPACformyl acetate;trihydrate
SMILESCC(=O)OC=O.O.O.O
InChIInChI=1S/C3H4O3.3H2O/c1-3(5)6-2-4;;;/h2H,1H3;3*1H2
InChIKeyQQTIPPYDGYABBZ-UHFFFAOYSA-N
MW142.11 g/mol
LogP-2.77
Rot. Bonds1

About formyl acetate;trihydrate

formyl acetate;trihydrate (PubChem CID 174475141) has the molecular formula C3H10O6 and a molecular weight of 142.11 g/mol. Its IUPAC name is formyl acetate;trihydrate.

Molecular Properties

Compound Nameformyl acetate;trihydrate
PubChem CID174475141
Molecular FormulaC3H10O6
Molecular Weight142.11 g/mol
Exact Mass142.05
IUPAC Nameformyl acetate;trihydrate
SMILESCC(=O)OC=O.O.O.O
InChIInChI=1S/C3H4O3.3H2O/c1-3(5)6-2-4;;;/h2H,1H3;3*1H2
InChIKeyQQTIPPYDGYABBZ-UHFFFAOYSA-N
XLogP-2.77
TPSA137.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-2.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

azane;formyl acetate
CID 87373456
calcium;sodium;formyl acetate;hydride
CID 173454549
acetonitrile;azane;formyl acetate
CID 174795258
formyl 2-oxopropanoate
CID 57478633
ethenyl acetate;ethenyl formate
CID 19370025
ethenyl acetate;formic acid
CID 175608061
acetyloxymethylidenetungsten
CID 158334876
ethenyl acetate
CID 7904
ethenyl acetate;oxalonitrile
CID 174923759
[(E)-prop-1-enyl] acetate
CID 637917
formyloxycarbonyl-λ2-plumbane
CID 173056435
methoxysilane;prop-1-enyl acetate
CID 174837390

Frequently Asked Questions

What is the IUPAC name of formyl acetate;trihydrate?
The IUPAC name of formyl acetate;trihydrate (CID 174475141) is formyl acetate;trihydrate.
What is the SMILES notation for formyl acetate;trihydrate?
The canonical SMILES for formyl acetate;trihydrate is CC(=O)OC=O.O.O.O.
What is the InChIKey of formyl acetate;trihydrate?
The InChIKey is QQTIPPYDGYABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.3H2O/c1-3(5)6-2-4;;;/h2H,1H3;3*1H2.
What are the key properties of formyl acetate;trihydrate?
formyl acetate;trihydrate has a molecular weight of 142.11 g/mol, XLogP of -2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl acetate;trihydrate is sourced from PubChem (CID 174475141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).