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30828-09-2

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30828-09-2 Structure

30828-09-2 Structure
IdentificationBack Directory
[Name]

4-Oxododecanedioic acid
[CAS]

30828-09-2
[Synonyms]

4-Oxododecanedioic acid
Dodecanedioic acid, 4-oxo-
[Molecular Formula]

C12H20O5
[MDL Number]

MFCD19441038
[MOL File]

30828-09-2.mol
[Molecular Weight]

244.28
Chemical PropertiesBack Directory
[Melting point ]

106-109 °C(Solv: ethyl ether (60-29-7))
[Boiling point ]

472.4±25.0 °C(Predicted)
[density ]

1.146±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

4.77±0.17(Predicted)
[InChI]

InChI=1S/C12H20O5/c13-10(8-9-12(16)17)6-4-2-1-3-5-7-11(14)15/h1-9H2,(H,14,15)(H,16,17)
[InChIKey]

HHXMOTDTSDYYEI-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCC(=O)CCCCCCCC(O)=O
Hazard InformationBack Directory
[Uses]

4-Oxododecanedioic acid is a fatty acid derivative[1].
[Definition]

ChEBI: 4-oxododecanedioic acid is an oxo carboxylic acid.
[References]

[1] Javier Rivero, et al. Mycorrhizal symbiosis primes the accumulation of antiherbivore compounds and enhances herbivore mortality in tomato. J Exp Bot. 2021 Jun 22;72(13):5038-5050. DOI:10.1093/jxb/erab171
Spectrum DetailBack Directory
[Spectrum Detail]

4-Oxododecanedioic acid(30828-09-2)1HNMR
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