Cas no 22874-80-2 (4-Pentenoic acid, butylester)
4-Pentenoic acid, butylester structure
Product Name:4-Pentenoic acid, butylester
CAS No:22874-80-2
MF:C9H16O2
MW:156.222143173218
CID:274366
PubChem ID:140969
Update Time:2025-04-19
4-Pentenoic acid, butylester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenoic acid, butylester
- butyl pent-4-enoate
- AKOS017326483
- 22874-80-2
- DTXSID70177415
- 4-Pentenoic acid butyl ester
- SCHEMBL514195
-
- Inchi： 1S/C9H16O2/c1-3-5-7-9(10)11-8-6-4-2/h3H,1,4-8H2,2H3
- InChI Key： FSTRNYPZAMXNTC-UHFFFAOYSA-N
- SMILES： O(C(CCC=C)=O)CCCC
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.889
- Boiling Point: 171°C at 760 mmHg
- Flash Point: 59.1°C
- Refractive Index: 1.428
- PSA: 26.3
4-Pentenoic acid, butylester Related Literature
-
D. G. Papageorgiou,E. Roumeli,K. Chrissafis,Ch. Lioutas,K. Triantafyllidis,D. Bikiaris,A. R. Boccaccini Phys. Chem. Chem. Phys. 2014 16 4830
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