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57822-06-7

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57822-06-7 Structure

57822-06-7 Structure
IdentificationBack Directory
[Name]

5-OXOAZELAIC ACID
[CAS]

57822-06-7
[Synonyms]

5-OxoazelaicAci
5-OXOAZELAIC ACID
5-KETOAZELAIC ACID
5-OxoazelaicAcid>
5-OXONONANEDIOIC ACID
Nonanedioic acid, 5-oxo-
5-Ketoazelaic Acid 5-Oxononanedioic Acid
[Molecular Formula]

C9H14O5
[MDL Number]

MFCD00075542
[MOL File]

57822-06-7.mol
[Molecular Weight]

202.2
Chemical PropertiesBack Directory
[Melting point ]

107-109 °C(lit.)
[Boiling point ]

463.3±20.0 °C(Predicted)
[density ]

1.236±0.06 g/cm3(Predicted)
[form ]

powder to crystal
[pka]

4.32±0.10(Predicted)
[color ]

White to Almost white
[InChI]

1S/C9H14O5/c10-7(3-1-5-8(11)12)4-2-6-9(13)14/h1-6H2,(H,11,12)(H,13,14)
[InChIKey]

GTCHZEFRDKAINX-UHFFFAOYSA-N
[SMILES]

OC(=O)CCCC(=O)CCCC(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[HS Code ]

2918.30.9000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

5-OXOAZELAIC ACID(57822-06-7)1HNMR
5-OXOAZELAIC ACID(57822-06-7)IR
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