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100944-55-6,MFCD02082368
Catalog No.:AA00037F
100944-55-6 | Acetic acid, 2-[2-oxo-5-(phenylmethyl)-3-morpholinylidene]-, methyl ester
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1mg
3 weeks  
$214.00   $150.00
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5mg
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$231.00   $162.00
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10mg
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$264.00   $185.00
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500mg
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1g
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Technical Information
Catalog Number:
AA00037F
Chemical Name:
Acetic acid, 2-[2-oxo-5-(phenylmethyl)-3-morpholinylidene]-, methyl ester
CAS Number:
100944-55-6
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD02082368
IUPAC Name:
methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate
InChI:
InChI=1S/C14H15NO4/c1-18-13(16)8-12-14(17)19-9-11(15-12)7-10-5-3-2-4-6-10/h2-6,8,11,15H,7,9H2,1H3
InChI Key:
WUIPHQPYGMFCRH-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1NC(COC1=O)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.2  

Synonyms
 
100944-55-6 
Acetic acid, [2-oxo-5-(phenylmethyl)-3-morpholinylidene]-, methyl ester 
AKOS030255553 
MCULE-8852192722 
CID2767676 
Methyl 2-(5-benzyl-2-oxo-morpholin-3-ylidene)acetate 
AC1MCEHF 
ACMC-20m3zj 
methyl 2-(5-benzyl-2-oxo-1,4-oxazinan-3-yliden)acetate 
methyl 2-[(3Z)-5-benzyl-2-oxomorpholin-3-ylidene]acetate 
methyl 2-(5-benzyl-2-oxomorpholin-3-ylidene)acetate 
CTK0G8548 
DTXSID00377623 
KS-00001S1B 
Literature
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