Name: Name:3-Oxo-4-phenyl-butyric acid ethyl ester
Brand: AABLOCKS
SKU: AA00FC1P
Rating: 90 (10 reviews)

Catalog No.: AA00FC1P

718-08-1 | 3-Oxo-4-phenyl-butyric acid ethyl ester

Pack Size： 1g

Purity： 97%

in stock

$27.00 $19.00

Pack Size： 5g

Purity： 97%

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$50.00 $35.00

Pack Size： 10g

Purity： 97%

in stock

$80.00 $56.00

Pack Size： 25g

Purity： 97%

in stock

$158.00 $110.00

Pack Size： 100g

Purity： 97%

in stock

$583.00 $408.00

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Technical Information

Catalog Number: AA00FC1P

Chemical Name: 3-Oxo-4-phenyl-butyric acid ethyl ester

CAS Number: 718-08-1

Molecular Formula: C12H14O3

Molecular Weight: 206.2378

MDL Number: MFCD03844818

SMILES: CCOC(=O)CC(=O)Cc1ccccc1

NSC Number: 15691

Properties

Complexity: 217

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.9

Downstream Synthesis Route

718-08-1

17356-08-0

6336-50-1

[1]BioorganicandMedicinalChemistry,2010,vol.18,p.3231-3237

[2]JournaloftheAmericanChemicalSociety,1938,vol.60,p.2941,2943

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[6]Molecules,2014,vol.19,p.7104-7121

[7]MedChemComm,2015,vol.6,p.1438-1443

[8]BioorganicandMedicinalChemistry,2018,vol.26,p.1573-1578

1071-46-1

103-80-0

718-08-1

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.6936-6948

[2]ChemicalandPharmaceuticalBulletin,1982,vol.30,p.2440-2446

[3]JournalofOrganicChemistry,1990,vol.55,p.5567-5571

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290-87-9

718-08-1

72676-86-9

[1]JournalofHeterocyclicChemistry,1980,vol.17,p.359-368

718-08-1

118856-11-4

[1]JournalofOrganicChemistry,1993,vol.58,p.7932-7936

140-29-4

105-36-2

718-08-1

[1]BioorganicandMedicinalChemistry,2010,vol.18,p.3231-3237

[2]SyntheticCommunications,2009,vol.39,p.1825-1834

[3]JournalofFluorineChemistry,1986,vol.34,p.83

[4]JournalofMedicinalChemistry,2012,vol.55,p.2242-2250

[5]MedChemComm,2015,vol.6,p.1438-1443

[6]BioorganicandMedicinalChemistry,2018,vol.26,p.1573-1578

Literature fold

Title: trans-5,6-Diphenyl-perhydro-pyran-2,4-dione.

Journal: Acta crystallographica. Section E, Structure reports online20090201

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