Cas no 5334-00-9 (Methyl 2-oxo-2-(2-oxocyclohexyl)acetate)
5334-00-9 structure
Product Name:Methyl 2-oxo-2-(2-oxocyclohexyl)acetate
CAS No:5334-00-9
MF:C9H12O4
MW:184.189183235168
CID:1582224
PubChem ID:220098
Update Time:2025-04-21
Methyl 2-oxo-2-(2-oxocyclohexyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-oxo-2-(2-oxocyclohexyl)acetate
- NSC2372
- methyl oxo(2-oxocyclohexyl)acetate
- AR-1J6096
- 2-Methoxalyl-cyclohexanon
- SureCN1005232
- AC1L5869
- CTK4J7656
- AC1Q6EOD
- AKOS011020866
- NSC2372; methyl oxo(2-oxocyclohexyl)acetate; AR-1J6096; 2-Methoxalyl-cyclohexanon; SureCN1005232; AC1L5869; CTK4J7656; AC1Q6EOD; AKOS011020866;
- DTXSID30277445
- Cyclohexaneacetic acid, alpha,2-dioxo-, methyl ester
- (2-OXOCYCLOHEXYL)-2-OXOACETIC ACID, METHYL ESTER
- HGGJIVMRGBLYDN-UHFFFAOYSA-N
- NSC-2372
- SCHEMBL1005232
- 5334-00-9
- DB-087318
-
- Inchi： 1S/C9H12O4/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h6H,2-5H2,1H3
- InChI Key： HGGJIVMRGBLYDN-UHFFFAOYSA-N
- SMILES： O=C1CCCCC1C(C(=O)OC)=O
Computed Properties
- Exact Mass: 184.07356
- Monoisotopic Mass: 184.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 244
- 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: 0.9
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- Density: 1.194
- Boiling Point: 304.3°C at 760 mmHg
- Flash Point: 133.9°C
- Refractive Index: 1.475
- PSA: 60.44
- LogP: 0.48780
Methyl 2-oxo-2-(2-oxocyclohexyl)acetate Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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