Cas no 499137-99-4 (5-Heptenoic acid, 4-methyl-, (4S,5E)-)
499137-99-4 structure
Product Name:5-Heptenoic acid, 4-methyl-, (4S,5E)-
CAS No:499137-99-4
MF:C8H14O2
MW:142.195562839508
CID:1539501
Update Time:2024-08-24
5-Heptenoic acid, 4-methyl-, (4S,5E)- Chemical and Physical Properties
Names and Identifiers
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- 5-Heptenoic acid, 4-methyl-, (4S,5E)-
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- Inchi： 1S/C8H14O2/c1-3-4-7(2)5-6-8(9)10/h3-4,7H,5-6H2,1-2H3,(H,9,10)/b4-3+/t7-/m1/s1
- InChI Key： XQPJBUNUYAKYNC-KGGZQZJCSA-N
- SMILES： C(O)(=O)CC[C@H](C)/C=C/C
Computed Properties
- Exact Mass: 142.09942
Experimental Properties
- Density: 0.953±0.06 g/cm3(Predicted)
- Boiling Point: 235.2±9.0 °C(Predicted)
- PSA: 37.3
- pka: 4.73±0.10(Predicted)
5-Heptenoic acid, 4-methyl-, (4S,5E)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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