ethyl 2-acetyl-4-oxo-4-phenylbutanoate 52313-46-9 CAS NO.52313-46-9

Min.Order: 1 Gram
Payment Terms: L/C,T/T,

Product Details

Keywords

Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester
ethyl 2-acetyl-4-oxo-4-phenylbutanoate
52313-46-9

Quick Details

ProName: ethyl 2-acetyl-4-oxo-4-phenylbutanoate...
CasNo: 52313-46-9
Molecular Formula: C14H16O4
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

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Details

Identification and Related Records
【Name】
Benzenebutanoicacid, a-acetyl-g-oxo-, ethyl ester
【Iupac name】
ethyl 2-acetyl-4-oxo-4-phenylbutanoate
【CAS Registry number】
52313-46-9
【Synonyms】
Ethyl2-acetyl-4-oxo-4-phenylbutanoate
Ethyl 2-acetyl-4-oxo-4-phenylbutyrate
NSC225097
【Molecular Formula】
C14H16 O4 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C14H16O4/c1-3-18-14(17)12(10(2)15)9-13(16)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
【Canonical SMILES】
CCOC(=O)C(CC(=O)C1=CC=CC=C1)C(=O)C
【MOL File】
52313-46-9.mol
Chemical and Physical Properties
【Density】
1.123g/cm3
【Boiling Point】
392°Cat760mmHg
【Refractive Index】
1.507
【Flash Point】
173.8°C
【Computed Properties】
Molecular Weight:248.27444 [g/mol]
Molecular Formula:C14H16O4
XLogP3-AA:1.7
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:7
Tautomer Count:10
Exact Mass:248.104859
MonoIsotopic Mass:248.104859
Topological Polar Surface Area:60.4
Heavy Atom Count:18
Formal Charge:0
Complexity:316
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
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:7
Conformer Sampling RMSD:0.8
CID Conformer Count:311

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