Ethyl 3-methyl-2,4-dioxohexanoate

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Basic information

CAS: 61202-97-9
Standard SMILES: CCOC(=O)C(=O)C(C)C(=O)CC
InChIKey: UUDJREZGIPQANP-UHFFFAOYSA-N
Molecular formula: C9H14O4
Average molar mass: 186.2 g/mol
Monoisotopic mass: 186.08920892

Names & identifiers

Preferred name: Ethyl 3-methyl-2,4-dioxohexanoate
IUPAC: ethyl 3-methyl-2,4-dioxohexanoate
English name: ethyl 3-methyl-2,4-dioxohexanoate
Molecular formula: C9H14O4
Molecular weight: 186.21

Names & synonyms

Ethyl 3-methyl-2,4-dioxohexanoate61202-97-9EINECS 262-651-9Hexanoic acid, 3-methyl-2,4-dioxo-, ethyl esterDTXSID60976717RefChem:138706DTXCID201404087262-651-9SCHEMBL2775307DB-326371NS000541793-Methyl-2,4-dioxo-hexanoic acid ethyl ester

Show more names

3-Methyl-2,4-dioxohexanoic acid ethyl ester

Database identifiers

CAS: 61202-97-9
PubChem CID: 3017239
DTXSID: DTXSID60976717
EC Number: 262-651-9
Nikkaji: J268.409H

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 60.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 220

Related reactions

4 records

New reaction record

HRID 141194As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 175917As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2388246As productuspto-grants-2012_09

HRID 2388247As reactantuspto-grants-2012_09

Compound notes

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