Cas no 142556-36-3 (Pentanoic acid,4-chloro-3-oxo-, methyl ester)
142556-36-3 structure
Product Name:Pentanoic acid,4-chloro-3-oxo-, methyl ester
CAS No:142556-36-3
MF:C6H9ClO3
MW:164.586861371994
CID:101012
PubChem ID:22068615
Update Time:2025-04-18
Pentanoic acid,4-chloro-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,4-chloro-3-oxo-, methyl ester
- 142556-36-3
- Pentanoic acid, 4-chloro-3-oxo-, methyl ester
- NBFSTVAWWARRCQ-UHFFFAOYSA-N
- SCHEMBL628847
- methyl methyl-4-chloroacetoacetate
- methyl 4-chloro-3-oxopentanoate
-
- Inchi： 1S/C6H9ClO3/c1-4(7)5(8)3-6(9)10-2/h4H,3H2,1-2H3
- InChI Key： NBFSTVAWWARRCQ-UHFFFAOYSA-N
- SMILES： ClC(C)C(CC(=O)OC)=O
Computed Properties
- Exact Mass: 164.02407
- Monoisotopic Mass: 164.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 144
- 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
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Pentanoic acid,4-chloro-3-oxo-, methyl ester Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
142556-36-3 (Pentanoic acid,4-chloro-3-oxo-, methyl ester) Related Products
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