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??-2-?-1,5-??

??-2-?-1,5-??
??-2-?-1,5-?? ??? ???
?? ??:
1724-02-3
???:
??-2-?-1,5-??
???(??):
??-2-?-1,5-??
???:
Pent-2-ene-1,5-dioic acid
???(??):
GLUTACONIC ACID;pentene diacid;pentenedioic acid;(E)-glutaconic acid;2-PENTENEDIOIC ACID;TRANS-GLUTACONIC ACID;pent-2-ene-1,5-dioic acid;Glutaconic acid >=97.0% (T);Glutaconic acid (6CI, 7CI, 8CI)
CBNumber:
CB0692500
???:
C5H6O4
??? ??:
130.1
MOL ??:
1724-02-3.mol
MSDS ??:
SDS

??-2-?-1,5-?? ??

???
137-139 °C(lit.)
?? ?
413.8±28.0 °C(Predicted)
??
1.384±0.06 g/cm3(Predicted)
?? ??
Amber Vial, Refrigerator
???
DMSO(?? ???), ???(?? ???)
?? ?? (pKa)
4.21±0.10(Predicted)
??? ??
??
??? ??
??? ??
??
???? ????
BRN
1759560
???
???
InChI
InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)
InChIKey
XVOUMQNXTGKGMA-UHFFFAOYSA-N
SMILES
C(O)(=O)C=CCC(O)=O
LogP
0.040 (est)
CAS ??????
1724-02-3(CAS DataBase Reference)
??
  • ?? ? ?? ??
????? 22-24/25
WGK ?? 3
HS ?? 2917198090
???? ??? 11 - Combustible Solids
???? ?? KE-28031
????(GHS):
?? ?:
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
??????:
NFPA 704
1
2 0

??-2-?-1,5-?? C??? ??, ??, ??

??

Glutaconic acid has been used in the preparation of CoA-substrate glutaconyl-CoA by reacting with acetyl-CoA. It may be used in the preparation of 6-chloro-2(2H)-pyranone by reacting with phosphorus pentachloride (PCl5).

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Glutaconic acid, also known as 2-pentenedioic acid, is an unsaturated dicarboxylic acid. It is formed as one of the degradation products during the partial wet oxidation (PWO) of alkali lignin. The analysis of its crystal structure indicates that the compound exists predominantly in the trans-conformation. The geometric bond lengths and bond angles of glutaconic acid have been obtained using Hartree–Fock (HF), density functional calculations and IR spectral data.

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??-2-?-1,5-?? ?? ??:

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