Cas no 10153-61-4 (3-Hexene-2,5-dione,3,4-dihydroxy-)
10153-61-4 structure
Product Name:3-Hexene-2,5-dione,3,4-dihydroxy-
CAS No:10153-61-4
MF:C6H8O4
MW:144.125322341919
CID:200944
Update Time:2024-01-26
3-Hexene-2,5-dione,3,4-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexene-2,5-dione,3,4-dihydroxy-
- Formoin,diacetyl-
- 3-Hexene-2,5-dione, 3,4-dihydroxy-
-
- Inchi： 1S/C6H8O4/c1-3(7)5(9)6(10)4(2)8/h9-10H,1-2H3
- InChI Key： QDILFPZEGWZMON-UHFFFAOYSA-N
- SMILES： CC(=O)C(O)=C(O)C(=O)C
Computed Properties
- Exact Mass: 144.04224
- Monoisotopic Mass: 144.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6A^2
Experimental Properties
- Density: 1.309±0.06 g/cm3(Predicted)
- Boiling Point: 334.8±42.0 °C(Predicted)
- PSA: 74.6
- LogP: 0.49200
- pka: 9.60±0.50(Predicted)
3-Hexene-2,5-dione,3,4-dihydroxy- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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