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100501-55-1,MFCD06739281
Catalog No.:AA00023F
100501-55-1 | tert-Butyl 5-formyl-4-hydroxy-3,6-dihydropyridine-1(2h)-carboxylate
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250mg
95%
1 week  
$202.00   $142.00
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Technical Information
Catalog Number:
AA00023F
Chemical Name:
tert-Butyl 5-formyl-4-hydroxy-3,6-dihydropyridine-1(2h)-carboxylate
CAS Number:
100501-55-1
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD06739281
IUPAC Name:
tert-butyl 3-formyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-5-4-9(14)8(6-12)7-13/h7-8H,4-6H2,1-3H3
InChI Key:
ZKIQUKVRBZWAMF-UHFFFAOYSA-N
SMILES:
O=CC1CN(CCC1=O)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Synonyms
 
100501-55-1 
tert-butyl 3-formyl-4-oxopiperidine-1-carboxylate 
CB-983 
RW3646 
AKOS015918706 
AB29030 
FCH1624918 
QC-1878 
RL00047 
AK121861 
AS-48221 
SC-32990 
1-BOC-3-FORMYL-4-OXO-PIPERIDINE 
AB0046996 
AX8024498 
DB-058441 
FT-0738653 
Z-5365 
J-524542 
S12-0111 
C11H17NO4 
tert-Butyl3-formyl-4-oxopiperidine-1-carboxylate 
1-Piperidinecarboxylicacid, 3-formyl-4-oxo-, 1,1-dimethylethyl ester 
1-N-Boc-3-formyl-4-oxopiperidine 
ACMC-1BNJ8 
SCHEMBL14279769 
CTK3J9017 
DTXSID90679981 
0213AA 
Literature
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