Cas no 191793-22-3 (Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester)
191793-22-3 structure
Product Name:Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester
CAS No:191793-22-3
MF:C13H20O4
MW:240.295504570007
CID:1385057
PubChem ID:396661
Update Time:2025-04-20
Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester
- methyl 2-oxo-1-(3-oxobutyl)cycloheptane-1-carboxylate
- NCI60_036892
- 191793-22-3
- NSC-703175
- NSC703175
- DTXSID40327925
- CHEMBL2002413
-
- Inchi： 1S/C13H20O4/c1-10(14)7-9-13(12(16)17-2)8-5-3-4-6-11(13)15/h3-9H2,1-2H3
- InChI Key： KFPSMQRDMYIJAZ-UHFFFAOYSA-N
- SMILES： O=C1CCCCCC1(C(=O)OC)CCC(C)=O
Computed Properties
- Exact Mass: 240.1362
- Monoisotopic Mass: 240.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 321
- 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: 1.4
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester Related Literature
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
191793-22-3 (Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester) Related Products
- 1522-34-5(Ethyl 2-acetyl-4-methylpentanoate)
- 1522-46-9(Ethyl 2-Isopropylacetoacetate)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 27132-23-6(Dimethyl diethylmalonate)
- 10420-33-4(1,4-dimethyl 2-acetylbutanedioate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 32249-35-7(Methyl 3-cyclopropyl-3-oxopropanoate)
- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 42558-54-3(Methyl 4-methyl-3-oxopentanoate)
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