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1002355-96-5,MFCD16140210
Catalog No.:AA00018P
1002355-96-5 | 1-Azetidinecarboxylic acid, 3-(2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester
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Purity
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250mg
95%
in stock  
$26.00
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1g
95%
in stock  
$50.00
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5g
95%
in stock  
$150.00
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10g
95%
in stock  
$250.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00018P
Chemical Name:
1-Azetidinecarboxylic acid, 3-(2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester
CAS Number:
1002355-96-5
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD16140210
IUPAC Name:
tert-butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate
InChI:
InChI=1S/C12H19NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3
InChI Key:
WYWJZDFQQJTRDD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
tert-Butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate 
1002355-96-5 
AKOS015969125 
GF-0212 
RP13802 
SB11179 
1-Boc-3-ethoxycarbonylmethylene-azetidine 
CS-0028388 
FT-0754093 
tertbutylethoxyoxoethylideneazetidinecarboxylate 
Q-4964 
J-524471 
SCHEMBL2676434 
1-(tert-Butoxycarbonyl)azetidine-3-ylideneacetic acid ethyl ester 
3-Ethoxycarbonylmethylene-azetidine-1-carboxylic acid tert-butyl este 
tert-Butyl 3-(2-ethoxy-2-oxoethylidene)azetidine-1-carboxylate, 95% 
1-Azetidinecarboxylic acid, 3-(2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester 
C12H19NO4 
DTXSID90657825 
WYWJZDFQQJTRDD-UHFFFAOYSA-N 
BCP20257 
KS-000004AF 
7134AC 
MFCD16140210 
ZINC66308958 
Literature
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