3-Methoxyprop-2-enal

HCID 20766

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Basic information

CAS: 4652-35-1
Standard SMILES: COC=CC=O
InChIKey: XJQSLJZYZFSHAI-UHFFFAOYSA-N
Molecular formula: C4H6O2
Average molar mass: 86.09 g/mol
Monoisotopic mass: 86.03677943

Names & identifiers

Preferred name: 3-Methoxyprop-2-enal
IUPAC: 3-methoxyprop-2-enal

Names & synonyms

3-METHOXYPROP-2-ENALSCHEMBL163547SCHEMBL4183572XJQSLJZYZFSHAI-UHFFFAOYSA-NDTXSID401315226

Database identifiers

CAS: 4652-35-1
PubChem CID: 20766
DTXSID: DTXSID401315226

Properties

Computed structural propertiesFilling in

XLogP: -0.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 56

Related reactions

1 records

New reaction record

HRID 442139 reaction equation

HRID 442139As productuspto-grants-1977_08

Compound notes

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