ChemicalBook >?? ???? >3-???????
3-???????
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3-??????? ??
- ???
- 124-126 °C(lit.)
- ?? ?
- 412.2±25.0 °C(Predicted)
- ??
- 1.405±0.06 g/cm3(Predicted)
- ?? ??
- −20°C
- ???
- ??????(?? ???), DMSO(?? ???), ???(?? ???)
- ??? ??
- ??
- ??? ??
- ??? ??
- ?? ?? (pKa)
- 3.13±0.32(Predicted)
- ??
- ???? ?????
- InChI
- InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)
- InChIKey
- RTGHRDFWYQHVFW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CC(=O)CCC(O)=O
- LogP
- -0.688 (est)
??
- ?? ? ?? ??
- ?? ? ???? ?? (GHS)
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3-??????? C??? ??, ??, ??
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3-Oxohexanedioic Acid is a degradation product of catechol in the presence of hydrogen peroxide; Also, it is derived from 3-Oxohexanedioic Acid Diethyl Ester (O856830), which is an intermediate used to prepare CMPF (C595000) which is a drug-binding inhibitor which is also a constituent of urine. CMPF can inhibit specific T4 binding in serum by increasing the free concentration of direct competitors.??
ChEBI: 3-oxoadipic acid is an oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position. It has a role as a bacterial xenobiotic metabolite and a human metabolite. It is an oxo dicarboxylic acid and a dicarboxylic fatty acid. It is functionally related to an adipic acid. It is a conjugate acid of a 3-oxoadipate(2-).3-??????? ?? ?? ? ???
???
1,1,4-Butanetricarboxylic acid, 2-oxo-, 1,1,4-triethyl ester
2-Furanacetic acid, α-acetyl-4-(ethoxycarbonyl)-2,3-dihydro-3-hydroxy-5-methyl-, ethyl ester (9CI)
?????????
2-Furanacetic acid, α-acetyl-4-(ethoxycarbonyl)-5-methyl-, ethyl ester
???3-???????
(-)-3-????????
CIS CIS-MUCONIC ACID
3,4-?????????????
???
?? ??
3-??????? ?? ??
???( 31)?? ??
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