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34906-84-8,MFCD06201711
Catalog No.:AA007H1C
34906-84-8 | ETHYL 4-ISOPROPYLBENZOYLFORMATE
Pack Size
Purity
Availability
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Quantity
  
250mg
95%
1 week  
$97.00
- +
1g
95%
1 week  
$153.00
- +
5g
95%
1 week  
$378.00
- +
25g
95%
1 week  
$1,053.00
- +
100g
95%
1 week  
$3,784.00
- +
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Technical Information
Catalog Number:
AA007H1C
Chemical Name:
ETHYL 4-ISOPROPYLBENZOYLFORMATE
CAS Number:
34906-84-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD06201711
IUPAC Name:
ethyl 2-oxo-2-(4-propan-2-ylphenyl)acetate
InChI:
InChI=1S/C13H16O3/c1-4-16-13(15)12(14)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3
InChI Key:
CGCCWTUTQYRMIO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1ccc(cc1)C(C)C
Properties
Computed Properties
 
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
34906-84-8 
ethyl 4-isopropylbenzoylformate 
FS-5076 
ACM34906848 
DA-06561 
ethyl 4-iso-propylbenzoylformate, AldrichCPR 
FT-0760312 
(4-isopropylphenyl)oxoacetic acid ethyl ester 
ethyl 2-oxo-2-(4-propan-2-ylphenyl)acetate 
ZINC04255782 
ETHYL4-ISO-PROPYLBENZOYLFORMATE 
CID2758859 
Ethyl 4-iso-propylbenzoylformate 
ethyl 2-(4-isopropylphenyl)-2-oxoacetate 
AC1MBZ3D 
SCHEMBL2124530 
CTK4H3221 
DTXSID30374529 
ZINC4255782 
AKOS010879709 
Literature
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