2-Methyl-4-(1-oxopropoxy)-2-butenal

HCID 57239752
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Basic information

CAS
14919-02-9
Standard SMILES
CCC(=O)OCC=C(C)C=O
InChIKey
HCLJVUXNOWXHKP-UHFFFAOYSA-N
Molecular formula
C8H12O3
Average molar mass
156.18 g/mol
Monoisotopic mass
156.07864424

Names & identifiers

Preferred name
2-Methyl-4-(1-oxopropoxy)-2-butenal
IUPAC
(3-methyl-4-oxobut-2-enyl) propanoate

Names & synonyms

2-Methyl-4-(1-oxopropoxy)-2-butenalSCHEMBL6765418HCLJVUXNOWXHKP-UHFFFAOYSA-NDTXSID5012935084-propionyloxy-2-methyl-2-buten-1-al14919-02-93-Methyl-4-oxobut-2-en-1-yl propanoate

Database identifiers

CAS
14919-02-9
PubChem CID
57239752
DTXSID
DTXSID501293508

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
11

Related reactions

1 records
New reaction record

Compound notes

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