Cas no 174307-62-1 (3,6-Heptadiene-2,5-dione (9CI))
174307-62-1 structure
Product Name:3,6-Heptadiene-2,5-dione (9CI)
CAS No:174307-62-1
MF:C7H8O2
MW:124.137222290039
CID:840119
Update Time:2025-04-19
3,6-Heptadiene-2,5-dione (9CI) Chemical and Physical Properties
Names and Identifiers
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- 3,6-Heptadiene-2,5-dione (9CI)
- hepta-3,6-diene-2,5-dione
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- Inchi： 1S/C7H8O2/c1-3-7(9)5-4-6(2)8/h3-5H,1H2,2H3/b5-4+
- InChI Key： LIWHUYKZGKQPCV-SNAWJCMRSA-N
- SMILES： CC(=O)/C=C/C(=O)C=C
Computed Properties
- Exact Mass: 124.05244
Experimental Properties
- PSA: 34.14
3,6-Heptadiene-2,5-dione (9CI) Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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