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Home Carbonyls 2-Ethoxycarbonyl-ethyl-phthalimide

2-Ethoxycarbonyl-ethyl-phthalimide

CAS No.:
4561-06-2
Catalog Number:
AG00D84G
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$125
- +
1g
98%
In Stock USA
United States
$263
- +
5g
98%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG00D84G
Chemical Name:
2-Ethoxycarbonyl-ethyl-phthalimide
CAS Number:
4561-06-2
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD00089144
IUPAC Name:
ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
InChI:
InChI=1S/C13H13NO4/c1-2-18-11(15)7-8-14-12(16)9-5-3-4-6-10(9)13(14)17/h3-6H,2,7-8H2,1H3
InChI Key:
CPLUGKCOXAPMON-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties