Cas no 61363-96-0 (Butanoic acid, 2-chloro-3-oxo-, 3-butenyl ester)
61363-96-0 structure
Product Name:Butanoic acid, 2-chloro-3-oxo-, 3-butenyl ester
CAS No:61363-96-0
MF:C8H11ClO3
MW:190.624141931534
CID:482264
PubChem ID:12355052
Update Time:2025-04-19
Butanoic acid, 2-chloro-3-oxo-, 3-butenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-chloro-3-oxo-, 3-butenyl ester
- but-3-enyl 2-chloro-3-oxobutanoate
- DTXSID10493661
- 61363-96-0
- But-3-en-1-yl 2-chloro-3-oxobutanoate
-
- Inchi： 1S/C8H11ClO3/c1-3-4-5-12-8(11)7(9)6(2)10/h3,7H,1,4-5H2,2H3
- InChI Key： OUTRESZNHQKXJR-UHFFFAOYSA-N
- SMILES： ClC(C(C)=O)C(=O)OCCC=C
Computed Properties
- Exact Mass: 190.03973
- Monoisotopic Mass: 190.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Butanoic acid, 2-chloro-3-oxo-, 3-butenyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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