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1025029-60-0,MFCD11974391
Catalog No.:AA0007J5
1025029-60-0 | 1-Boc-3-(3-ethoxy-3-oxopropanoyl)azetidine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$210.00   $147.00
- +
250mg
95%
in stock  
$390.00   $273.00
- +
1g
95%
in stock  
$855.00   $599.00
- +
5g
95%
in stock  
$2,625.00   $1,838.00
- +
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Technical Information
Catalog Number:
AA0007J5
Chemical Name:
1-Boc-3-(3-ethoxy-3-oxopropanoyl)azetidine
CAS Number:
1025029-60-0
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
MDL Number:
MFCD11974391
IUPAC Name:
tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate
InChI:
InChI=1S/C13H21NO5/c1-5-18-11(16)6-10(15)9-7-14(8-9)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
CVLHLSSKQJCGIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C1CN(C1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
1025029-60-0 
1-Boc-3-(3-ethoxy-3-oxopropanoyl)azetidine 
PB19220 
CS-0037562 
Q-3036 
ethyl 3-oxo-3-(N-tert-butoxycarbonyl-azetidin-3-yl)propanoate 
3-Azetidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-beta-oxo-, ethyl ester 
tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate 
SCHEMBL8208172 
CVLHLSSKQJCGIY-UHFFFAOYSA-N 
BETA-OXO-1-BOC-3-AZETIDINEPROPANOIC ACID ETHYL ESTER 
KS-000007IX 
MFCD11974391 
ZINC95707540 
AKOS025402751 
Literature
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