formaldehyde;furan-2-carbaldehyde;propan-2-one

C9H12O4 — CID 159909330

IUPACformaldehyde;furan-2-carbaldehyde;propan-2-one
SMILESC=O.CC(C)=O.O=Cc1ccco1
InChIInChI=1S/C5H4O2.C3H6O.CH2O/c6-4-5-2-1-3-7-5;1-3(2)4;1-2/h1-4H;1-2H3;1H2
InChIKeyNWZDRWVBZHIKQS-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.50
Rot. Bonds1

About formaldehyde;furan-2-carbaldehyde;propan-2-one

formaldehyde;furan-2-carbaldehyde;propan-2-one (PubChem CID 159909330) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is formaldehyde;furan-2-carbaldehyde;propan-2-one.

Molecular Properties

Compound Nameformaldehyde;furan-2-carbaldehyde;propan-2-one
PubChem CID159909330
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Nameformaldehyde;furan-2-carbaldehyde;propan-2-one
SMILESC=O.CC(C)=O.O=Cc1ccco1
InChIInChI=1S/C5H4O2.C3H6O.CH2O/c6-4-5-2-1-3-7-5;1-3(2)4;1-2/h1-4H;1-2H3;1H2
InChIKeyNWZDRWVBZHIKQS-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

furan-2-carbaldehyde
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furan-2-carbaldehyde;nitromethane
CID 23020378
furan-2-carbaldehyde phosphate
CID 20507502
furan-2-carbaldehyde;hydroxymethyl 4-oxopentanoate
CID 126623530
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
buta-1,3-diene;furan-2-carbaldehyde;prop-2-enenitrile
CID 88724069
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CID 163769843

Frequently Asked Questions

What is the IUPAC name of formaldehyde;furan-2-carbaldehyde;propan-2-one?
The IUPAC name of formaldehyde;furan-2-carbaldehyde;propan-2-one (CID 159909330) is formaldehyde;furan-2-carbaldehyde;propan-2-one.
What is the SMILES notation for formaldehyde;furan-2-carbaldehyde;propan-2-one?
The canonical SMILES for formaldehyde;furan-2-carbaldehyde;propan-2-one is C=O.CC(C)=O.O=Cc1ccco1.
What is the InChIKey of formaldehyde;furan-2-carbaldehyde;propan-2-one?
The InChIKey is NWZDRWVBZHIKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.C3H6O.CH2O/c6-4-5-2-1-3-7-5;1-3(2)4;1-2/h1-4H;1-2H3;1H2.
What are the key properties of formaldehyde;furan-2-carbaldehyde;propan-2-one?
formaldehyde;furan-2-carbaldehyde;propan-2-one has a molecular weight of 184.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;furan-2-carbaldehyde;propan-2-one is sourced from PubChem (CID 159909330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).