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1024604-94-1,MFCD22377049
Catalog No.:AA0007GJ
1024604-94-1 | tert-Butyl 4-hydroxyspiro[chroman-2,4'-piperidine]-1'-carboxylate
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Technical Information
Catalog Number:
AA0007GJ
Chemical Name:
tert-Butyl 4-hydroxyspiro[chroman-2,4'-piperidine]-1'-carboxylate
CAS Number:
1024604-94-1
Molecular Formula:
C18H25NO4
Molecular Weight:
319.3954
MDL Number:
MFCD22377049
IUPAC Name:
tert-butyl 4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C18H25NO4/c1-17(2,3)23-16(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-15(13)22-18/h4-7,14,20H,8-12H2,1-3H3
InChI Key:
JQECWLCCCODXAC-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC(O)c1c(O2)cccc1)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.178g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.178g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
1024604-94-1 
tert-Butyl 4-hydroxyspiro[chroman-2,4'-piperidine]-1'-carboxylate 
tert-Butyl4-hydroxyspiro[chroman-2,4'-piperidine]-1'-carboxylate 
SCHEMBL12482111 
DTXSID70738202 
JQECWLCCCODXAC-UHFFFAOYSA-N 
AKOS016012784 
tert-butyl 4-hydroxyspiro[chromane-2,4'-piperidine]-1'-carboxylate 
tert-Butyl 4-hydroxy-3,4-dihydro-1'H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate 
TERT-BUTYL 4-HYDROXY-3,4-DIHYDROSPIRO[1-BENZOPYRAN-2,4'-PIPERIDINE]-1'-CARBOXYLATE 
Spiro[2H-1-benzopyran-2,4'-piperidine]-1'-carboxylic acid, 3,4-dihydro-4-hydroxy-, 1,1-dimethylethyl ester 
Literature
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