- Product Details
Keywords
- Cyclohexaneacetic acid,2,6-dioxo-, ethyl ester
- ethyl 2-(2,6-dioxocyclohexyl)acetate
- 52158-88-0
Quick Details
- ProName: ethyl 2-(2,6-dioxocyclohexyl)acetate ...
- CasNo: 52158-88-0
- Molecular Formula: C10H14O4
- Appearance: Liquid
- Application: Organic Chemicals
- DeliveryTime: as client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 10 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Gram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
Identification and Related Records
【Name】
Cyclohexaneacetic acid,2,6-dioxo-, ethyl ester
【Iupac name】
ethyl 2-(2,6-dioxocyclohexyl)acetate
【CAS Registry number】
52158-88-0
【Synonyms】
NSC 143243
【Molecular Formula】
C10H14 O4 (Products with the same molecular formula)
【Molecular Weight】
198.2158
【Inchi】
InChI=1/C10H14O4/c1-2-14-10(13)6-7-8(11)4-3-5-9(7)12/h7H,2-6H2,1H3
【Canonical SMILES】
CCOC(=O)CC1C(=O)CCCC1=O
Chemical and Physical Properties
【Density】
1.142g/cm3
【Boiling Point】
323.1°C at 760 mmHg
【Refractive Index】
1.468
【Flash Point】
142.6°C
【Computed Properties】
Molecular Weight:198.21576 [g/mol]
Molecular Formula:C10H14O4
XLogP3-AA:0.2
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:5
Exact Mass:198.089209
MonoIsotopic Mass:198.089209
Topological Polar Surface Area:60.4
Heavy Atom Count:14
Formal Charge:0
Complexity:241
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4.8
Conformer Sampling RMSD:0.6
CID Conformer Count:66