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1788054-84-1

1788054-84-1 | 1-Piperazinecarboxylic acid, 4-[(1-hydroxycyclopropyl)carbonyl]-, 1,1-dimethylethyl ester

CAS No: 1788054-84-1 Catalog No: AG0026CY MDL No:MFCD28502466

Product Description

Catalog Number:
AG0026CY
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(1-hydroxycyclopropyl)carbonyl]-, 1,1-dimethylethyl ester
CAS Number:
1788054-84-1
Molecular Formula:
C13H22N2O4
Molecular Weight:
270.3248
MDL Number:
MFCD28502466
IUPAC Name:
tert-butyl 4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-8-6-14(7-9-15)10(16)13(18)4-5-13/h18H,4-9H2,1-3H3
InChI Key:
ZLHDQDQGKKCUHR-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)C1(O)CC1)OC(C)(C)C

Properties

Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.158g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.329g/mol
Monoisotopic Mass:
270.158g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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