Cas no 62108-69-4 (3-methylbutyl 2-chloropropionate)
62108-69-4 structure
Product Name:3-methylbutyl 2-chloropropionate
CAS No:62108-69-4
MF:C8H15ClO2
MW:178.656502008438
CID:864009
PubChem ID:143872
Update Time:2025-04-19
3-methylbutyl 2-chloropropionate Chemical and Physical Properties
Names and Identifiers
-
- 3-methylbutyl 2-chloropropionate
- Propanoic acid, 2-chloro, 3-methylbutyl ester
-
- Inchi： 1S/C8H15ClO2/c1-6(2)4-5-11-8(10)7(3)9/h6-7H,4-5H2,1-3H3
- InChI Key： KNERPDYJMKKKNT-UHFFFAOYSA-N
- SMILES： ClC(C)C(=O)OCCC(C)C
Computed Properties
- Exact Mass: 178.07615
- Monoisotopic Mass: 178.0760574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 123
- 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: 2.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-methylbutyl 2-chloropropionate Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives
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