Cas no 50599-74-1 (Pentanoyl chloride, 3-ethyl-)
Pentanoyl chloride, 3-ethyl- structure
Product Name:Pentanoyl chloride, 3-ethyl-
CAS No:50599-74-1
MF:C7H13ClO
MW:148.630521535873
CID:364538
PubChem ID:10219522
Update Time:2025-04-19
Pentanoyl chloride, 3-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoyl chloride, 3-ethyl-
- 3-ethylpentanoyl chloride
- 50599-74-1
- SCHEMBL6172192
- DTXSID40436844
-
- Inchi： 1S/C7H13ClO/c1-3-6(4-2)5-7(8)9/h6H,3-5H2,1-2H3
- InChI Key： ZAGGRKWDTCOZRM-UHFFFAOYSA-N
- SMILES： ClC(CC(CC)CC)=O
Computed Properties
- Exact Mass: 148.06559
- Monoisotopic Mass: 148.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 86.9
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Pentanoyl chloride, 3-ethyl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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